Tutorial Aspen HYSYS

Bison Engineering and Evaluation Firm
a division of
Hawbawg Chemical Company

Dana Engineering Building
Lewisburg, PA 17837
Chemical Process Simulation and

the AspenTech HYSYS Software
Version 2006
by
Michael E. Hanyak, Jr.
Chemical Engineering Department
Bucknell University
Lewisburg, PA 17837
authorized by
Thomas P. Rich, Director
Process Development Division
BEEF, Inc.
December 15, 2007
Copyright 1998-2007 by Chemical Engineering Department

Printed in the United States of America
All rights reserved. No part of this report may be reproduced or
transmitted in any form or by any means, electronic or mechanical,
including photocopying, recording, or any information storage and
retrieval system, without permission in writing from the Publisher.
Chemical Engineering Department
Bucknell University
Lewisburg, PA 17837
Acknowledgement
I would like to thank the General Electric Fund for sponsoring, under its
Faculty for the Future program in the area of undergraduate research, the
development of this problem-based learning material on computer-aided
chemical process simulation. Also, I further thank the American Institute of
Chemical Engineers (AIChE) for their permission to use the material from their
1985 Student Contest ProblemStyrene from Toluene and Methanol in
Appendix A of this workbook. The cost for this workbook includes two
dollars that is paid to the AIChE for the use of their copyrighted material in
Appendix A.
Jessica Keith (Class of 1998) and Cynthia Caputo (Class of 1999), undergraduate
students in chemical engineering, deserve special thanks for their contributions
to this courseware development project during 1998 and 1999. Jessica
provided initial drafts of Chapters 2, 3, and 4. She also wrote the first draft of
the appendices on process simulation modules. Cynthia worked on enhancing
the process simulation modules using the MathType software, a mathematical
equation editor.
Finally, the sophomore students in my introductory course on chemical
engineering used drafts of this workbook during 1998 and 1999. I greatly
appreciate their feedback.
M. E. Hanyak
ii
Table of Contents
1. Introduction................................................................................................................ 1-1
2. HYSYS Simulation Tutorials
Overview ............................................................................................................. 2-1
Tutorial Conventions......................................................................................... 2-2
A. Keywords for mouse actions ............................................................................. 2-2
B. Text formatting .............................................................................................. 2-2
C. Interactive process modeling ............................................................................ 2-3
D. HYSYS at Bucknell University ......................................................................... 2-4
2.2 Introduction to the HYSYS Interface .............................................................. 2-7
A. Start the HYSYS program ............................................................................... 2-7
B. Open a pre-defined simulation file .................................................................... 2-8
C. Manipulate stream specifications ...................................................................... 2-9
D. Change global preferences ............................................................................. 2-10
E. Add variables to the workbook ....................................................................... 2-11
F. Alter the fluid package ................................................................................... 2-12
G. Close the simulation case ............................................................................... 2-13
2.3 Simulation File Creation ................................................................................. 2-14
A. Start the HYSYS program ............................................................................. 2-14
B. Build a fluid package .................................................................................... 2-14
C. Find component physical properties ................................................................ 2-16
D. Create a process stream ................................................................................. 2-17
E. Copy and delete a process stream.................................................................... 2-19
F. Save the simulation ....................................................................................... 2-20
2.4 Heater and Case Study .................................................................................... 2-22
B. Open an existing simulation file ..................................................................... 2-23
C. Add a heater operation .................................................................................. 2-24
D. Specify the heater outlet condition .................................................................. 2-26
E. Perform a case study ..................................................................................... 2-27
F. Close the simulation case ................................................................................ 2-30
2.5 HYSYS Printing Capabilities ......................................................................... 2-31
C. Print the PFD and an active window ............................................................... 2-32
D. Print the heater datasheets ............................................................................. 2-34
E. Print the case study plot ................................................................................. 2-35
F. Create a report ............................................................................................. 2-35
2.1
iii
Conversion Reactor and Reactions ................................................................ 2-37

C. Add a reaction to the fluid package ................................................................. 2-39
D. Add a reactor to the flowsheet ........................................................................ 2-42
E. Specify the reactor outlet conditions ................................................................ 2-44
2.7 Gibbs Equilibrium Reactor ............................................................................ 2-47
C. Copy a reactor feed stream ............................................................................ 2-49
D. Add a Gibbs reactor to the flowsheet ............................................................... 2-50
E. Specify the reactor outlet conditions ................................................................ 2-52
2.8 Kinetic Model and a Plug Flow Reactor........................................................ 2-57
C. Copy a reactor feed stream ............................................................................ 2-59
D. Add a plug flow reactor to the flowsheet .......................................................... 2-60
E. Add a kinetic reaction set to the fluid package .................................................. 2-62
F. Specify reactor parameters and outlet conditions .............................................. 2-66
2.9 PFD Manipulation Tools ................................................................................. 2-71
C. Zoom flowsheet in and out ............................................................................. 2-73
D. Orient some PFD icons .................................................................................. 2-74
E. Move some icon labels ................................................................................... 2-75
F. View some operating conditions ...................................................................... 2-76
G. Add some documentation text ........................................................................ 2-77
H. Connect and disconnect PFD objects ............................................................... 2-79
I. Copy a PFD to a Word document.................................................................... 2-85
J. Close the simulation case ................................................................................ 2-87
2.6
3. Process Unit Assignments

Overview .......................................................................................................... 3-1
HY.1 Process Stream Simulation ............................................................................ 3-2
HY.2 Pump Simulation............................................................................................. 3-4
HY.3 Cooler Simulation ........................................................................................... 3-6
HY.4 Mixer/Tee Simulation ..................................................................................... 3-9
iv
HY.5 Reactor Simulation ....................................................................................... 3-13

4. Flowsheet Development Assignments
Overview .......................................................................................................... 4-1
SM.1 Styrene Monomer Reaction Section.............................................................. 4-2
SM.2 Reactor Effluent Cooling/Decanting Section................................................ 4-3
SM.3 Methanol Recycle Purification Section......................................................... 4-5
SM.4 Toluene Recycle Purification Section............................................................ 4-9
SM.5 Toluene/Methanol Feed Preparation Section............................................. 4-12
SM.6 Recycle Mixing and Preheating Section ..................................................... 4-13
SM.7 Styrene Monomer Purification Section ...................................................... 4-15
Appendix A. Styrene Monomer Production .............................................................. A-1
Introduction ....................................................................................................... A-1
Proposed Styrene Process ................................................................................... A-1
Technical Data ................................................................................................... A-2
Design Data ........................................................................................................ A-3
Economic Data ................................................................................................... A-6
Appendix B. HYSYS Simulation Modules................................................................. B-1
Appendix C. Process Stream Module ......................................................................... C-1
Appendix D. Mixer Module ......................................................................................... D-1
Appendix E. Pump Module .......................................................................................... E-1
Appendix F. Valve Module........................................................................................... F-1
Appendix G. Heater/Cooler Module ........................................................................... G-1
Appendix H. Chemical Reactor Module..................................................................... H-1
Appendix I. Two-Phase Separator Module ................................................................I-1
Appendix J. Three-Phase Separator Module............................................................. J-1
Appendix K. Component Splitter Module ................................................................. K-1
Appendix L. Simple Distillation Module..................................................................... L-1
1. Introduction
Welcome to the Internship Program in the Process Engineering Department of BEEF,
Inc., the Bison Engineering and Evaluation Firm. As a new sophomore chemical engineer in this
program, you will learn how to develop a chemical process and determine its process
requirements for material and energy using the process simulator HYSYS.
BEEF is a consultant company that solves chemical processing problems for
governmental institutions and industrial companies. Since our clients lack the technical expertise,
they hire us to recommend and implement solutions to their chemical processing problems.
Solving a clients problem is a complex activity involving many departments in our company.
Our departments focus is to develop, on paper, a large-scale solution, called a process design, for
a chemical-processing problem. We accomplish this design by synthesizing a process flowsheet,
solving its material and energy balances, sizing and costing its equipment, and determining its
profitability. Basically, we determine the feasibility of the process design, that is, is it feasible to
build and run this process design. Finally, BEEF communicates a process design to our client in
the form of a technical report.
Hawbawg Chemical Company has hired us to investigate the feasibility of manufacturing
styrene monomer from the raw materials of toluene and methanol. Styrene monomer is an
intermediate material used to make such consumer plastic products as polystyrene packaging and
film, cushioning materials, radio and television sets, and toys. As a first step in this feasibility
study, your team is assigned the tasks to develop the flowsheet and determine its process
requirements for material and energy that maximizes the net profit.
The chemical process for converting toluene and methanol to styrene monomer is
globally depicted in the diagram below. Appendix A provides substantial information on this
process.
byproduct
toluene
flowsheet
methanol
styrene monomer
wastes
You must synthesize the process flowsheet, where the chemical reactor is the heart of that
flowsheet. This flowsheet will be composed of process units (such as reactors, heaters, coolers, pumps,
and distillation columns) which are connected by process streams, and it will conceptually shows the
flow of material and energy from the raw materials to the products. In developing this flowsheet,
a process stream is assumed to have uniform temperature, pressure, flow rate, and composition
(i.e., these variables do not vary along the length of the pipe). These four quantities are referred to as the
process state of a stream.
The development of any process flowsheet is a very complex activity. Engineers handle
complexity by a divide and conquer strategy. In this handbook, Chapters 2, 3, and 4 are the subparts of a strategy to develop the flowsheet for the production of styrene monomer from toluene
and methanol. They accomplish the following:
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Chapter 2 introduces you to the HYSYS process simulation software. The

nine tutorials in this chapter provide you with detailed instructions on how to
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1. Introduction
use HYSYS in the Windows environment, in order to do some standard
process simulation calculations.
Chapter 3 provides five assignments in which you can develop your abilities
and confidence to simulate individual process units using HYSYS. These
assignments focus on a process stream, pump, heater, mixer, tee, and reactor.
Once youve completed the assignments, you will have a mathematical
understanding of how HYSYS does its calculations for each process unit.
Chapter 4 contains seven assignments to develop the styrene monomer

flowsheet. Each member of your team will begin with the reactor section and
increase the complexity of the flowsheet by adding sections, one by one,
until the complete flowsheet is simulated in HYSYS. While doing these
assignments, you will learn about heuristic rules that provide guidance on
selecting process unit operations in the flowsheet and determining their
operating conditions.
You will complete the tutorials of Chapter 2 and the assignments of Chapters 3 and 4 over a 14week period. Once these tasks are completed, you will have finished the first step in a feasibility
study on the production of styrene monomer from toluene and methanol; that is, the development
of its flowsheet and processing requirements for material and energy.
While completing the tasks of Chapters 2, 3, and 4, you will need to access additional
information, which you can find in the appendices. Appendix A provides complete technical data
for the production of styrene monomer from toluene and methanol. You will use Appendix A to
complete your assigned tasks in Chapter 4. Appendices B, C, etc. contain simulation modules for
various process unit operations. Each appendix or module provides a mathematical explanation
of how HYSYS does its calculations for that process unit. A module includes a description, a
conceptual model, a mathematical model, example mathematical algorithms, and several HYSYS
simulation algorithms. You will need to consult these appendices while doing your assigned
tasks in Chapters 3 and 4.
As a new engineer in BEEF, Inc., your professional challenge of developing the styrene
monomer flowsheet using HYSYS is formable. To complete this challenge, you must develop
your critical thinking skills as a problem solver. As reported by Diane F. Halpern in Thought and
Knowledge: An Introduction to Critical Thinking [1989, pp. 29-30], No one can become a better
thinker just by reading a book. An essential component of critical thinking is developing the
attitude of a critical thinker. Good thinkers are motivated and willing to exert the conscious effort
needed to work in a planful manner, to check for accuracy, to gather information, and to persist
when the solution isnt obvious and/or requires several step. Developing a critical thinking
attitude is as important as developing thinking skills. Many errors occur not because people
cant think critically, but because they dont. One of the major differences between good and
poor thinkers, and correspondingly between good and poor students, is their attitude. In our
organization, you must develop a critical thinking attitude; that is, you must be willing to plan, be
flexible in your thinking, be persistent, and be willing to self-correct. You can not become a
critical problem solver without this sort of attitude.
BEEF, Inc. hired you as a new employee, because you possess the talent to become a
critical problem solver. What you must decideDoes the degree of my desire match that of my
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1. Introduction
talent? You must work hard, pay attention to detail, take pride in your work, and observe
professional ethics, in order to become an effective engineer.
Welcome to our company, and good luck in your team's development of the styrene
monomer flowsheet. Remember our company motto, Engineering is 10 percent inspiration and
90 percent perspiration.
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Overview
A fundamental aspect of chemical engineering is the design of chemical processes. A
chemical process transforms raw materials into products through a series of process units
connected by process streams. A process unit or unit operation is equipment that physically
and/or chemically changes the chemical compounds passing through it. Increasing temperature,
decreasing pressure, and mixing are some examples of physical changes, while chemical
reactions cause changes in chemical compounds. Process units are connected by material process
streams that carry the chemical compounds at a certain process statetemperature, pressure, flow
rate, and composition. Energy streams connected to process units supply the needed energy for
an operation or remove energy released in an operation. A schematic diagram called a process
flow diagram and often referred to as a flowsheet represents a chemical process. A flowsheet
shows all process units and streams and how they are connected, as illustrated in Figure 2.1
below.
25C
3095 kPa
330 kgmol/h
64.8% benzene
33.5% propylene
1.7% propane
0.0% cumene
Q=?
S1
Q=?
S2
E1
heater
350C
3075 kPa
R1
reactor
S3
350C
3025 kPa
Figure 2.1. A Simple Process Flowsheet
The arrow lines labeled S1, S2, and S3 are material streams, while the other two arrow lines are
energy streams. The two circles labeled E1 and R1 are process units. For the flowsheet in Figure
2.1, the simulation problem is what heat duty in kJ/h is required to raise the temperature of
stream S1 from 25 to 350C and how much energy in kJ/h is required to operate the reactor at
an isothermal condition (i.e., at constant temperature)?
A simulation of a chemical process does the material and energy balances on all of the
process units. This information can then be used to see how to manipulate the process to
maximize product, minimize energy use, etc. Aspen Techs HYSYS is a computer program that
simulates chemical processes. Using a computer for a process simulation takes a fraction of the
time it takes to do it by hand. The speed of a computer simulation allows the user to observe
quickly the effect of changes in a simulation. For example, using HYSYS, you can easily
compare the amount of product produced using different ratios of starting materials. Doing this
comparison with hand calculations would be a long and tedious task.
In this chapter, you will learn how to use HYSYS in Windows to do some process
simulation calculations. You will also gain a better understanding of some chemical process units
and how their material and energy balances are solved. This chapter presents nine tutorials to
introduce you to steady-state process simulation. They are: (1) tutorial conventions, (2)
introduction to the HYSYS interface, (3) simulation file creation, (4) heater and case study, (5)
HYSYS printing capabilities, (6) conversion reactor and reactions, (7) Gibbs equilibrium reactor,
(8) kinetic model in a plug flow reactor, and (9) process flow diagram (PFD) fundamentals.
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Tutorial 2.1
Tutorial Conventions
Since HYSYS is totally interactive, it provides virtually unlimited flexibility in solving
any simulation problem. Please keep in mind that the approach used in solving each example
problem presented in this tutorial chapter may only be one of many. You should feel free to
explore other alternatives by consulting the HYSYS Reference Manual.
This tutorial presents general convention adopted for this chapter. It focuses on
terminology used to describe mouse actions and on formatting conventions for text in this
chapter. Most of the conventions presented below have been taken directly from the HYSYS
Reference Manual. The tutorial also presents general comments on interactive process modeling,
the HYSYS way. Finally, you initialize HYSYS for use at Bucknell University.
A. Keywords for mouse actions.

As you read through various procedures in this handout, you will be given instructions on
performing specific functions or commands. Instead of repeating certain phrases for mouse
instructions, we will use a keyword to imply a longer instructional phrase:
The keywords select, choose, pick, press, or click mean to position the cursor on
the object or button of interest, and press the primary mouse button once.
The keyword double-click means to position the cursor on the object of interest,
and press the primary mouse button twice quickly in succession.
The phrase click and drag means to position the cursor on the object of interest,
press and hold the primary mouse button, move the cursor to a new location, and
release the primary mouse button.
The keyword object inspect means to position the cursor on the object of interest,
and press the secondary mouse button once.
The keyword enter means to position the cursor in an input cell, press the
primary mouse button once, type the required information, and then press the
<Enter> key on the keyboard.
For a standard two-button mouse, the primary mouse button is on the left, while the secondary
one is on the right, provided you have not changed the mouse settings through Windows.
B. Text Formatting.
A number of text formatting conventions are also used throughout this chapter. They
help to quickly identify menu commands, buttons, keys on the keyboard, windows or views, areas
within windows, radio buttons and check boxes in window areas, material and energy stream
names, unit operation names, and HYSYS unit operation types. These conventions are as
follows:
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Tutorial 2.1
When you are asked to invoke a HYSYS menu command, the command is
identified by bold lettering. For example, File indicates the File menu item,
while Tools/Preferences means the Preferences option within the Tools menu.
When you are asked to press a HYSYS button, the button is identified by bold,
italicized lettering. For example, Close identifies the Close button on a particular
window (i.e., a view).
When you are asked to press a key or keys to perform a certain function,
keyboard commands are identified by bold lettering, enclosed by angle brackets.
For example, <F1> identifies the F1 key on the keyboard.
The name of a HYSYS view (or window) is indicated by bold lettering; e.g.,
Session Preferences.
The name of a Group or Area within a view is identified by bold lettering; e.g.,
Initial Build Home View.
The name of Radio Buttons and Check Boxes are identified by bold lettering; e.g.
Workbook.
Material and energy stream names are identified by bold lettering; e.g., S1,
Column Feed, and Condenser Duty.
Unit operation names are identified by bold lettering; e.g., Flash Separator or
Atmospheric Tower.
Note that blank spaces are acceptable in the names of streams and unit
operations.
HYSYS unit operation types are identified by bold, uppercase lettering; e.g.,
HEAT EXCHANGER, SEPARATOR, and DISTILLATION COLUMN.
When you are asked to provide keyboard input, it will be indicated by bold
lettering; e.g., Enter 100 for the stream temperature.
Most of the above formatting conventions have been taken directly from the HYSYS Reference
Manual.
C. Interactive process modeling.

As stated in the HYSYS Reference Manual, the role of process simulation is to improve
your process understanding so that you can make the best process decision. Aspen Techs
HYSYS solution has been, and continues to be, Interactive Simulation. This solution has not
only proven to make the most efficient use of your simulation time, but by building the model
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Tutorial 2.1
interactivelywith immediate access to resultsyou gain the most complete understanding of
your simulation.
The HYSYS software uses the power of Object-Oriented Design, together with an EventDriven Graphical Environment, to deliver a completely interactive simulation environment
where:
calculations begin automatically whenever you supply new information,

and
access to the information you need is in no way restricted.
At any time, even as calculations are proceeding, you can access information from any location in
HYSYS. Each location is always instantly updated with the most current information, whether
specified by you or calculated by HYSYS.
Given the power and flexibility designed into HYSYS, many ways exists to accomplish
the same task. The tutorials of this chapter have been designed to show you one way to do each
HYSYS task, primarily for simplicity and speed. Other ways do exist, and you can consult the
HYSYS Reference Manual to investigate those ways. This manual exists in paper and electronic
forms. Your instructor will give you information on how to access the electronic version of the
HYSYS Reference Manual using the Adobe Acrobat Reader program in Windows.
D. HYSYS at Bucknell University.

Before using the HYSYS software at Bucknell, you must create a HYSYS folder and then set
some of the HYSYS preferences. Proceed as follows:
First, you must create a folder in your private area on the network file server and name
it hysys. To create this folder:
1.
2.
3.
4.
5.
Log on to a computer that is connected to the network.

Double-Click the My Computer icon in the Desktop area.
Double-Click the student server (U:) icon.
Double-Click your private folder.
Click the secondary mouse button in your private folder and select
New/Folder.
6. Finally, name the new folder hysys.
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Second, you must configure some preferences in the HYSYS software and save them in
your private hysys folder. To configure the HYSYS software, proceed as follows:
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Tutorial 2.1
1. C hoose Aspen HYSYS 2006 thru the Start/All
Programs menu on the Windows desktop.
Click the middle Maximize Window icon
in the upper-right part of the HYSYS desktop.
2. C hoose Tools/Preferences from the menu
bar.
To access the HYSYS program from the

network file server.
To expand the HYSYS desktop window to fit
the full area of the monitor screen.
To display the Session Preferences window
with tabbed preference views.
No
te that
Any window in HYSYS may have several tab

views, such as Simulation, Variables,
Reports, etc. in the Session Preferences
window. Within a tab view, several pages
may exist as indicated by the selections in the
far-left area, such as Options, Desktop, etc.
in the Simulation view.
No
te that
In this manual, we will use notation like

Simulation/Options to refer to a particular
page in a particular view.
Select the Simulation/Options page, if

necessary.
To make it the current preference page, which

you will alert.
Uncheck the Use Modal Property Views in

the General Options area, if necessary.
To de-activate the modal mode of displaying

property windows.
No
te that
HYSYS will now display all windows as nonmodal views, allowing you to conduct
activities outside of any opened window.
3. Select the Variables/Units page.
To display the Units preference page in the

Variables view.
Click SI in the Available Unit Sets area,

if necessary.
To instruct HYSYS to use the SI system of

unitsC, kPa, kgmole/h, kJ, etc.
4. Select the Reports/Company Info page.
To display the company name and location.
Type CHEG 200, your name in the Company

Name cell. E.G., CHEG 200, Michael Hanyak
To provide a unique identification of you.
Type the following in the Company Location

cell:
Process Engineering Department
BEEF, Inc., A Consultant Company
Lewisburg, PA 17837
To provide a unique identification for your

company.
This company name and location will be
supplied on all HYSYS reports that you print.
5. Click the Save Preference Set button, then

click the Save button in the current window.
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To save your default preferences for the

HYSYS program in your private HYSYS
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Tutorial 2.1
6. Click the Close button; that is, the X button in
the upper right corner of the window.
folder on the network file server.

To close the Session Preferences window
and return to the HYSYS desktop.
To exit the HYSYS program.
7. C hoose File/Exit from the menu bar

or
Press keys <Alt><F4> on the keyboard.
You have saved all preferences contained in the Session Preferences window in your private
hysys folder. Whenever you start the HYSYS program, it will automatically read your saved
preferences in order to set the HYSYS environment. You should get into the habit of checking
your preferences using the Tools/Preferences menu, after the program has started.
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Tutorial 2.2
Introduction to the HYSYS Interface
To familiarize yourself with HYSYS, you will first open an existing file named intro.hsc
located on the network file server. This HYSYS file simulates a material stream containing
benzene, propylene, propane, and cumene. It also uses the Peng-Robinson-Stryjeck-Vera (PRSV)
fluid package to calculate the thermodynamic properties of the stream. The conceptual diagram
for this stream is:
TS1 = 25D C
PS1 = 175 kPa
nS1 = 200 kgmol / h
zS1, BZ = 0.500
S1
zS1, PY = 0.015
zS1, PR = 0.015
zS1,CU = 0.470
You will practice HYSYS navigation fundamentals and some basic HYSYS capabilities in seven
sectionsstart the HYSYS program, open a pre-defined simulation file, manipulate stream
specifications, change global preferences, add variables to the workbook, alter the fluid package,
and close the simulation case. To proceed, you must be familiar with the material in Tutorial 2.1.
A. Start the HYSYS program.

When you start the HYSYS program, it always begins with whatever global
preference settings were last saved in your default preference file. You should
always check these default preferences before you begin your simulation work.
Proceed as follows to check the system of units:
1. Choose Aspen HYSYS 2006 thru the Start/All

2. Choose Tools/Preferences from the menu

bar.


Variables view.
Click SI in the Available Unit Set area,

if necessary.
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Tutorial 2.2
B. Open a pre-defined simulation file.
A HYSYS simulation file has been created and placed on the network file server
for you to access. It is called intro.hsc. This section explains how to locate and
open this existing simulation file, and then save the simulation to either your
personal folder or the Windows desktop. Proceed as follows:
1. Choose File/Open/Case from the menu bar,
or
Click the Open Case icon on the button bar.
To display the Open Simulation Case

window. You will access a pre-defined
HYSYS .hsc file from the network file
server, as directed by your instructor.
2. Look in the pull-down menu , select the

departments server (R:), and navigate to
folder chem_engineering/public/HYSYS
Manual/Chap 2.
To find the HYSYS simulation file intro.hsc

on the network file server in the HYSYS
Manual folder.
3. Double-click on the file named intro.hsc,

or
Select this file and click the Open button.
To open the pre-defined simulation file. The

Process Flow Diagram (PFD) window
appears in the HYSYS desktop.
4. Choose File/Save As from the menu bar.
To display the Save Simulation Case As

window. You are about to save this predefined simulation case as a new simulation
case file in one of your personal folders.
5.
To store the simulation in your personal folder

as a file on the network file server. Your
instructor may give you directions.
Look in the pull-down menu , select your

student server (U:) icon, and navigate to your
private/hysys folder.
or
select the computers Desktop.
Note that
After you have finished your simulation work,

you can drag the file from the Windows
desktop to your personal folder on the
network file server for permanent storage.
To save your intro.hsc simulation file.
Click the Save button.
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To save the file on the Windows computer.

Saving a file to the computer will result in
faster simulations, since HYSYS will not have
to transfer data over the network. Simulation
speed becomes important as your file becomes
larger.
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Tutorial 2.2
C. Manipulate stream specifications.
The existing HYSYS file intro.hsc simulates a material stream at a given
temperature, pressure, flow rate, and composition. These four quantities are
referred to as the process state of a stream. This section shows you how to
change a streams process state by altering its current temperature, pressure, and
composition. You will also learn how to change the streams state by specifying
the vapor fraction instead of the temperature. Proceed as follows:
1. Click the Workbook icon on the button bar.
To access the Workbook window.

The Unit Ops page appears. This page is
empty because no unit operations are in the
Process Flow Diagram (PFD).
2. Click on the material Streams tab.
To display the material Streams page, which

currently shows the conditions of stream S1.
The Workbook window contains multiple
pages with tabs to move from one to another.
Note that
3. Enter 80 in the Temperature cell of Stream S1;

i.e., click in cell, type a value, and hit the <Enter > key.
User-supplied values are shown in blue and

can be changed by you. Values calculated by
HYSYS are in black and cannot be changed.
To change the temperature from 25 to 80C.
Notice the Heat Flow value changes from
8.908e+5 to 2.766e+6 kJ/h
Note that
The black values of Vapor Fraction, Mass

Flow, Liquid Volume Flow, and Heat Flow
are recalculated automatically by HYSYS for
the new temperature.
4. Enter 3 bar in the Pressure cell of Stream S1.

or
Enter 3 and select the drop-down menu of
at the far right and choose units bar.
To change the stream pressure from 175 to

300 kPa. HYSYS automatically converts the
pressure from bars to kPa and displays the
pressure in kPa.
5. Double-click in the Molar Flow cell containing

a value of 200.
To open the property window called Input

Composition for Stream. This view displays
the chemical component mole fractions, as
indicated by the Composition Basis area.
Click on Mass Fractions in the Composition

Basis area.
To display the component mass fractions of

Stream S1.
Enter 1 in the Mass Fraction cell for benzene;

and do this task three more times, once for
each chemical component.
To specify a stream with equal mass for each

chemical component; that is, four 1s appear
in the MassFraction column.
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Click the Normalize button.
To have HYSYS sum mass fractions to 1.0
Click the OK button.
To change the streams composition and have

HYSYS calculate the new Vapor Fraction,
Mass Flow, Liquid Volume Flow, and Heat
Flow for stream S1. The vapor fraction for
stream S1 is now non-zero, implying that two
phases (vapor-liquid) are coexisting together.
Note that
When doing calculations on a process stream,

you must enter values for its flow rate and
composition, as well as for only two of its
first three quantitiesvapor fraction,
temperature, and pressure.
The vapor fraction can range from zero to
one. A value of zero implies a liquid phase,
while a value of one implies a vapor or gas
phase. A value between zero and one implies
a vapor-liquid phase.
6. Click in the Temperature cell and

then hit the <Delete> key.
To delete the streams temperature value. The

temperature or pressure specification must be
deleted in order to specify the vapor fraction.
Do not us the <Backspace> key for this task.

Enter 0 in the Vapor Fraction cell of stream S1.
To calculate the bubble-point condition of the

stream; that is, its saturated-liquid state. The
bubble point of 8.074C is when the first
bubble of vapor forms out of the liquid phase.
Enter 1 in the Vapor Fraction cell of stream S1.
To calculate the dew-point condition of the

stream; that is, its saturated-vapor state. The
dew point of 122.5C is when the first drop of
liquid forms out of the vapor phase.
D. Change global preferences.

The preferences capability in HYSYS allows you optionally to set the units
system, deletion confirmation, modal property view, and automatic stream
naming. The simulation file intro.hsc currently contains your HYSYS default
preferences. In this section you will change the HYSYS modal view and units
system preferences. Proceed as follows:
1. Choose Tools/Preferences from menu bar,
and select the Simulation/Options page.
When any property view (i.e., window) is modal

you cannot access any other element in the
simulation. That is, you cannot select a menu
Click Use Modal Property Views in the

General Options area to activate it.
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To make it the current page in the Session

Preferences window that you will alert.
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Click Use Modal Property Views in the
General Options area again to de-activate it.
Note that
item or another view that is not directly part

of that modal view. A modal view has a pin
icon in the upper right corner next to the
icon. Clicking on that pin converts the modal
view to a non-modal view and allows you to
conduct activities outside of that view.
By de-activating the Model Property View
preference, you have instructed HYSYS to
display all views as non-modal.
To display the Units preference page.

Click Field in the Available Unit Sets area.
To change from SI units to English units.

The simulation originally displayed SI units
C, kPa, kgmole/h, etc. The Field units will
display English unitsF, psia, lbmole/h, etc.
The individual property units within the SI,
Field, or EuroSI system unit sets can not be
changed. You must clone one of these three
sets to create your preferred units set.
Click the Clone button to the right of the

Available Unit Sets area.
To create a new unit set whose current name

is NewUser.
Type my-fps in the Unit Set Name cell.
To given a unique name to this cloned Field

units set. The individual property units of
my-fps are the same as the Field units set.
However, in a cloned unit set, the individual
property units can be changed to suit you.
Click in the Pressure cell with units of psia and

select unit atm from the drop-down menu of
.
To change the pressure units from psia to atm.

The drop-down is near the top of the window.
Click the Close button.
To return to the Workbook window and see

the new set of units for the process stream.
E. Add variables to the workbook.

The HYSYS workbook displays a summary of process unit operations and
streams. The value and units of chosen variables are displayed with each unit
operation or stream. This section shows you how to add additional variables on
the Streams page of the workbook. Proceed as follows:
1. Choose Workbook/Setup from the menu
bar.
To open the Setup window and change the

organization of the workbook.
To modify the contents of the Streams page.
Click Streams in the Workbook Tabs area.
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Click the Add button in the Variables area.
2. Click Comp Mole Frac in the Variable area,
then click button All in the All/Single area.
To open the Select Variable(s) for Main

window.
To add all the component mole fractions to
the Streams page of the workbook.
To return to the Setup window.

3. Click the Close button in the Setup window.
To return to the Workbook window. Now,

all stream component mole fractions appear in
the workbook. Variables can be deleted and
added to the workbook as desired.
F. Alter the fluid package.

The fluid package contains thermodynamic, component, and reaction information
for the simulation. This section explains how this basis information in the fluid
package is altered in HYSYS. You will change the property package, view some
physical properties of a chemical component, and re-order the components in the
current fluid package. Proceed as follows:
1. Choose Simulation/Enter Basis Environment
or
Click on the Enter Basis Environment icon on
the button bar.
To open the Simulation Basis Manager

window. This is where basic information for
the simulation is entered, such as the thermodynamic model and the chemical components.
Click on the Fluid Pkgs tab, if necessary.
To view the Fluid Packages page.
Click the View button in the Current Fluid

Packages area.
To enter the current Fluid Package: Basis-1

window.
If a warning window appears, click its OK

button only.
To ignore a warning message concerning a

comsel index file.
2. Click on the Set Up tab, if necessary.
To view the Fluid Package/Set Up. The

current Property Package Selection is the
PRSV model.
Scroll down and click on SRK in the Property

Package Selection area.
To change the property package from PRSV

to SRK, the Soave-Redlich-Kwong model.
To return to Current Fluid Packages page.
3. Click on the Components tab.
To view the Component Lists. The Master

Component List should already be selected.
Click the View button.
To view the chemical Component List View

page. The simulation compounds are listed in
the Selected Components area.
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Double-click Benzene in the Selected
Components area.
To view the Benzene window of physical

properties.
Click on the Critical tab.
To view the base and critical properties of

benzene. Note its normal boiling point of
176.2F. You can also view other physical
properties through the other tab pages.
Click on the Close button.
To return to the Component List View page.
4. Click the Sort List button to the right of the

Selected Components area.
To view the Move Components for Basis-1

Component List window. You will re-order
the components in order of increasing normal
boiling points.
Click benzene in Component(s) to Move area

Click cumene in the Insert Before area, and
Click the Move button.
To move benzene just before cumene, since

the normal boiling point of benzene is 176.2
F compared to 306.3 F for cumene.
Click propane in Component(s) to Move area

Click propene in the Insert Before area, and
Click the Move button.
To move propane just before propene, since

the normal boiling point of propane is 43.78
F compared to 53.95 F for propene.
To return to the Component List View page.

Note the new order of the chemical
components.
To return to the Simulation Basis Manager

window.
5. Click Return to Simulation Environment

in the lower-right part of the window.
To return to the process simulation which

contains the PFD and the workbook.
To have HYSYS directly do any calculations.
The workbook appears again, showing stream
S1 with the new ordering for the components.
Click the No button in the question window.
G. Close the simulation case.

You will close the file containing your simulation case and then exit HYSYS. Proceed as
follows:
1. Choose File/Close Case from the menu bar,
then click the No button.
To close the current simulation file and

not save it.
2. Choose File/Exit from the menu bar

or
To exit the HYSYS program.
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Tutorial 2.3
Simulation File Creation
In Tutorial 2.2 for the Introduction to the HYSYS Interface, you practiced basic
HYSYS skills using an existing simulation file intro.hsc. Now you will learn how to create and
save a simulation file identical to intro.hsc. The creation of this file is divided into six
sectionsstart the HYSYS program, build a fluid package, find component physical properties,
create a process stream, copy and delete a process stream, and save the simulation. To proceed,
you must be familiar with the material in Tutorial 2.2.

Please note that you may be familiar with this procedure from previous tutorials.


bar.


Variables view.

if necessary.
To close the Session Preferences window and

return to the HYSYS desktop.
B. Build a fluid package.

To simulate a process flowsheet in HYSYS, you must first create what is called a
Fluid Package. This package is where all the basic simulation information such
as chemical components, thermodynamic model, and chemical reactions are
stored. Proceed as follows:
1. Choose File/New/Case from the menu bar.
or
Click the New Case icon on the button bar.
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window and then start a new simulation case.
In this window, the list of chemical can be
defined and a new Fluid Package can be
created.
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Tutorial 2.3
To view the Components page. In this page,
the Component Lists area should have the
Master Component List highlighted.
2. Click the Components tab, if necessary.
Note that
In HYSYS, components are the chemical

compounds you will use in your simulation.
To view the Component List View page with
Traditional highlighted in the Add
Component area.
Note that
In this page, you will add the chemical

compoundsbenzene, propylene, propane,
and cumeneto your new simulation.
Click the cursor in the Match cell, if necessary.

Type benzene in the Match cell.
Click the Add Pure button to the left.
To position the vertical bar in that cell.

To get benzene selected in the scrolling area.
To add benzene to the Selected Components
area.
Click the cursor in the Match cell.

Type propylene in the Match cell.
Click the Add Pure button to the left.
To select the current name in that cell.

To get propene selected in the scrolling area.
To add propene to the Selected Components
area.
Repeat above steps for propane and cumene.
To add these final two compounds to the

Selected Components area.
To close the Component List View window

and return to the Components page.
3. Click the Fluid Pkgs tab.
To open the Fluid Pkgs page and begin the

process of creating a new Fluid Package.
To open the Fluid Package/Setup window
with its Property Package Selection area.
Click the Add button.

Note that
A property package contains the basic

thermodynamic equations and relationships
used in property calculations for mixtures of
chemical compounds, called components.
Some example calculations are the density,
enthalpy, and dew or bubble point temperature
of a mixture.
Click EOSs in the Property Package Filter

area.
To display a list of the equation-of-state

packages supported by HYSYS.
Click PRSV in the Property Package

Selection area.
To select the Peng-Robinson-Stryjeck-Vera

equation of state as the property package.
At this time, HYSYS loads the complete
physical property database for all the chemical
compounds you selected earlier.
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If a warning window appears, click its OK
button only.
To close a warning message concerning a

comsel index file. While loading the physical
property database, HYSYS may issue this
warning message, which you can ignore.
Click the View button in the Component

List Selection area.
To open the Component List View:

Component List - 1 page.
Click the cursor in the Name area at the bottom

of the page
To highlight its contents of Component List 1. You are going to change this name.
Type PRSV Component List in the Name

area.
To rename this component list, so that you

will know that it is always associated with the
PRSV equation of state.

and return to the Fluid Package/Setup page.
To close the Fluid Package/Setup window

and return to the Fluid Pkgs page in the
Simulation Basis Manager window.
C. Find component physical properties.

The HYSYS property package contains physical property information for each
chemical compound. Some example physical properties are the molecular
weight, the critical temperature and pressure, and the Antoine coefficients. This
information can be viewed using the Components page of the Simulation Basis
Manager window. You will find the normal boiling point and the Antoine
coefficients for cumene. Proceed as follows:
To open the Components page in the
Simulation Basis Manager window.
1. Click the Components tab.

Click the PRSV Component List.
To highlight it the Component Lists area.

To view the list of chemical components
associated with the PRSV equation of state.
Click the component named cumene
To select this compound in the Selected

Components area.
Click the View Component button.

or
Double-click on the component name.
To open the Cumene component properties

window and view the ID or identification
page.
2. Click on the Critical tab.
To view the Critical Properties page. Here

the molecular weight, normal boiling point,
and saturated liquid density properties are
shown under Base Properties.
To confirm that the normal boiling point of
View the Normal Boiling Point.
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cumene is 152.4C. The word normal means
at 1 atm.
3. Click on the TDep tab.
To view the Temperature Dependent

Properties page. The vapor enthalpy
equation and its coefficients are shown.
Click on Vapour Pressure.
To change from the Vapour Enthalpy equation

to the Antione Vapor Pressure equation.
View the Antoine Coefficients for cumene.
To confirm that the Antoine coefficientsa,

b, c, d, e, and fare shown for cumene.

To close the Cumene window.

and return to the Simulation Basis Manager
window.
4. Click the Enter Simulation Environment

Note that
To enter the simulation environment, which

contains the PFD window, as well as the
Object Palette called Case (Main) on the
right. In the PFD, you can add process
streams and unit operations from the Object
Palette to construct your simulation.
Whenever you are in the Simulation
Environment and you decide to return to the
Simulation Basis Manager, the button for
returning to the Simulation Environment will
always be Return to Simulation
Environment.
D. Create a process stream.

You have just created the fluid package for your HYSYS simulation and viewed
some component physical properties. You are now in the empty PFD (process
flow diagram) view of your simulation. Streams and unit operations can be added
through the Workbook, but we will use the PFD, a graphical view of the
flowsheet that allows the user to see how the process units and stream are
connected. In the PFD view, the simulation flowsheet is a collection of icons that
represent streams and unit operations. The first step in creating your process
simulation is to make a material stream. This section explains how to create a
material process stream and specify its process stream state. Proceed as follows:
1. Click the blue Material Stream icon in the
Object Palette, move the cursor into the PFD,
and click where you want the stream icon to be
positioned.
2. Double-click on the stream 1 icon in the PFD.
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To add a process stream labeled 1 to the PFD.

If the Object Palette is not visible, choose the
Flowsheet/Open Object Palette menu option
or press the <F4> key on the keyboard.
To open its stream property window, which
contains tabbed views with information about
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Tutorial 2.3
the stream and an object status area that is
currently yellow.
Note that
A property window always shows the status of

the associated object (red for missing
information, yellow for a warning message, and
green for OK). HYSYS has successfully done
the objects calculations when the object

status is green.
Note that
3. Enter S1 in the Stream Name cell of stream 1;

Currently, the Worksheet/Conditions page

for stream 1 displays empty for all stream
condition cells, because no data have been
specified for the stream yet. Once you supply
the temperature, pressure, flow rate, and
composition for a stream, HYSYS will
automatically calculate all other properties of
that stream.
To change the stream name from the default
value of 1 to S1. HYSYS assigns a default
name to every object added to the PFD.
You can control the default name for any
object through the Simulation/Naming page
of the Tools/Preference menu option.
4. Enter 25 in the Temperature cell of stream S1.

Enter 1 atm in the Pressure cell of stream S1.
5. Enter 100 in the Molar Flow cell of stream S1.
To specify the stream temperature at 25C.

To specify the stream pressure at 1 atm.
HYSYS automatically converts the pressure
from units of atm to kPa.
To specify a molar flow rate of 100 kgmole/h.
Note that
Note that the object status is still yellow and

says Unknown Compositions. HYSYS is
warning you that the compositions are not
specified yet.
Double-click on the molar flow value of 100.
To open the Input Composition for Stream

window.
Click Mole Fractions in the Composition

Basis area, if necessary.
To select the composition basis as component

mole fractions. The stream composition can
be supplied as mole, mass, or liquid volume
fractions. The total flow and composition can
also be set by entering component mole, mass
or liquid volume flows.
Enter 100 in the MoleFraction cell for benzene.

Enter 3 in the MoleFraction cell for propene.
To specify the relative amount for benzene.

To specify the relative amount for proplyene.
Enter
To specify the relative amount for propane.
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3 in the MoleFraction cell for propane
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Enter 94 in the MoleFraction cell for cumene.
To specify the relative amount for cumene.
Click on the Normalize button.
To convert the input data to mole fractions.

The Normalize task takes your data and
adjusts them so they add up to one.
To return you to the Worksheet/Conditions

page of the stream property window.
Note that
The remaining cells of stream S1 now have

values and the object status is green. The
values calculated by HYSYS are black.
Values you have supplied are blue. The
calculated stream heat flow is 4.448e+5 kJ/h.
The streams heat flow is its molar flow rate
(kgmol/h) times its molar enthalpy (kJ/kgmol).
To close the stream property window.

Note that
6. Place the cursor over the stream S1 icon in the

PFD.
Stream S1 now appears in the PFD as a dark

blue stream because the stream state has been
specified. Streams not completely specified
are light blue.
To view the stream conditions. A box will
appear listing the stream name, temperature,
pressure, and flow rate.
E. Copy and delete a process stream.

Sometimes you want to create a new process stream and have as its values the
conditions of an existing process stream. You may want to do this action in order
to study other process states of the existing stream without disturbing its current
conditions. For example, you are interested in finding the dew- and bubble-point
temperatures of stream S1. You will copy the conditions of S1 into a new stream
to determine the dew- and bubble-point temperatures. You will then delete the
copied stream before saving your simulation. Proceed as follows:
1. Add a new material stream to the PFD using
the blue Material Stream icon in the Object
Palette window.
To create a stream into which the conditions

of stream S1 will be copied. See Step 1 of the
Create a process stream section above for
details on how to add the stream.
Note that
2. Double click on the Stream 1 icon in the PFD.

Enter junk into the Stream Name cell.
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A stream labeled 1 now appears in the PFD.

The streams process state has not yet been
specified, so the stream icon is light blue.
To open its stream property window.
To change its name from 1 to junk.
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Tutorial 2.3
To open a window showing the streams that
are available for copying.
3. Click on the Define From Other Stream

button.
Double-click on stream S1 in the Available
Streams area.
To choose the conditions of stream S1 to be

copied into stream junk. The object status at
the bottom of the property window for stream
junk turns green and shows OK, indicating
the new stream now has been determined.

.
To close the property window of stream junk.

To open the simulation workbook. The
Material Streams page shows both S1 and
junk with identical properties.
Empty the Temperature cell of stream junk,

using the <delete> (not the <backspace>) key.
Note that
To deactivate the calculated conditions of

stream junk.
Two of those three cells for vapor fraction,
temperature, and pressure must be given
values for a stream to be specified.
Enter 1 into the vapor fraction cell of junk.
To find its dew-point temperature, a condition

when the first drop of liquid forms out of the
vapor phase. HYSYS calculates a dew-point
temperature of 130.5C for stream junk.
Enter 0 into the vapor fraction cell of junk.
To find its bubble-point temperature, a

condition when the first bubble of vapor forms
out of the liquid phase. HYSYS calculates a
bubble-point temperature of 60.69C for junk.
Click the PFD icon in the button bar.
To return to the Process Flow Diagram.
5. Click on the junk stream icon in the PFD;

hit the <delete> key on the keyboard;
click the Yes button.
To delete stream junk from your simulation.

You are left with only stream S1 in the PFD.
By default, you always get the Do you wish
to delete confirmation for each object that
you want to delete from the PFD.
Note that
If you are deleting many objects at the same

time, answering the delete confirmation
message for each object came be frustrating.
You can deactivate the delete confirmation
through the Simulation/Options page of the
Tools/Preferences menu option.
F. Save the simulation.

You have created a simulation file identical to intro.hsc. More streams and unit
operations can be added to the simulation at a later time. To save a current
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simulation for later use, you can save the file to your personal folder. Proceed as
follows:
1. Choose File/Save from the menu bar.

window.
Look in the pull-down menu , select your

To save the new simulation case file in one of

your personal folders.
Enter simul in the File Name cell,

then click the Save button.
To name and save your simulation file to the

network file server for later use.

or
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To exit the HYSYS program, if you do not

plan to do the next simulation tutorial.
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Tutorial 2.4
Heater and Case Study
In Tutorials 2.2 and 2.3, you conducted a HYSYS simulation on a single process stream
that contained benzene, propylene, propane, and cumene. In this tutorial, you will add a heater
unit operation to the simulation and then conduct a case study analysis on that heater. You will
begin with the existing file named heat.hsc located on the network file server. The pre-defined
simulation in this file is set for the Peng-Robinson-Stryjeck-Vera (PRSV) fluid package with four
chemical components and a liquid process stream, named S1.
The process state of Stream S1 is given below in the conceptual diagram for the heater. Using
HYSYS, you will determine what duty ( Q in kJ/h) is required to heat stream S1 to a saturated
vapor at 162 kPa.
V f , S1 = ?
Vf ,S 2 = 1.0
TS1 = 25 C
D
PS1 = 175 kPa

nS1 = 200 kgmol / h
TS 2 = ?
Q E1 = ?
S1
E1
heater
zS1, BZ = 0.500
S2
PS 2 = 162 kPa
nS 2 = ?
zS 2, BZ = ?
zS1, PY = 0.015
zS 2 , PY = ?
zS1, PR = 0.015
zS 2, PR = ?
zS1,CU = 0.470
zS 2,CU = ?
Then you will perform a case study to observe the heat duty-temperature profile for this heater
operation. This tutorial is divided into six sectionsstart the HYSYS program, open an existing
simulation file, add a heater operation, specify the heater outlet condition, perform a case study,



bar.


Variables view.
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Tutorial 2.4

if necessary.

B. Open an existing simulation file.

for you to access. It is called heat.hsc. This file is the basis for this tutorial that
simulates a heater unit operation and generates a case study plot. Proceed as
follows to open heat.hsc and save a copy of it:
or


Manual/Chap 2.
To find the HYSYS simulation file heat.hsc

Manual folder.
3. Double-click on the file named heat.hsc,

or


5. Look in the pull-down menu , select your

or

Note that

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larger.
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Tutorial 2.4
To save your heat.hsc simulation file.
C. Add a heater operation.

Now that you have opened the existing file and saved it into your personal folder,
you can modify the simulation. This section explains how to add a heater operation
to the process stream in the existing Process Flow Diagram (PFD). In the
simulation, inlet Stream S1 is to be vaporized by Heater E1 with a duty stream
QE1 and an outlet Stream S2, as shown in the figure above.
1. Press the <F4> function key on the keyboard;
then drag the resulting window to the far right
in the HYSYS desktop.
Note that
Click the Heater icon in the Object Palette;
move the cursor into the PFD just to the right
of stream S1; and click the mouse button.
To open and position the Object Palette

window of icons for process streams and unit
operations.
Moving the cursor over a palette icon will
reveal its name.
To add the HEATER unit operation into the
PFD window. The heater icon is labeled with
E-100.
To open its property window, which contains
tabbed views with information about the
heater and its inlet and outlet streams.
2. Double click on the E-100 icon in the PFD.
The Design/Connections page is currently

visible in the E-100 property window for the
heater object.
Note that
3. Select Design/Connections page, if necessary.

Enter E1 in the Name cell of this page;
i.e., click in cell, type a name, and hit the <Enter > key.
Note that
4. Click in the Inlet cell and select S1 from the

drop-down menu of .
or
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A property window always shows the status

of its object (red for missing information, yellow
for a warning message, and green for OK).
HYSYS has successfully done an objects
calculations when its object status area is
green.
To view the Connections page of E-100.
To change the heater name from the default of
E-100 to E1. HYSYS assigns a default name
to every stream and unit operation that you
create.
The red object status of Requires a feed
stream implies that you must connect an inlet
stream to heater E1.
To connect stream S1 as the feed stream to the
heater process operation.
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Tutorial 2.4
Enter S1 in the Inlet cell.
Note that
5. Enter S2 in the Outlet cell.
The red object status of Requires a product

stream implies that you must connect an
outlet stream to heater E1.
To define stream S2 as the product stream
leaving the heater process operation.
Stream S2 did not previously exist in the
flowsheet. Thus, naming the heater outlet as
S2 creates a new process stream called S2.
Note that
6. Enter QE1 in the Energy cell.
The red object status of Requires a energy

energy stream to heater E1.
To define stream QE1 as the energy stream
that will supply heat to the heater process
operation.
Energy stream QE1 did not previously exist
in the flowsheet. Thus, naming the heater
duty creates a new energy stream called QE1.
You picked the name QE1 because symbol Q
stands for heat duty and E1 implies that this
Q is associated with unit operation E1.
Note that
The yellow object status of Unknown Delta

P implies that you must supply additional
data before HYSYS can simulate heater E1.
Note that
You are going to simulate the heater as shown

mathematically by:
S 2 , PE 1 , Q E 1 = heater S 1 , Vf , S 2 = 1, PS 2
where heater is the function whose variables

on the left are calculated by HYSYS once
those variables on the right are specified. The
vector i is a short notation to represent the
temperature, pressure, flow rate, and chemical
composition of Stream i.
7. Click the Close button.
To close the property window of object E1.

The PFD now contains the heater E1 icon
with a dark blue inlet stream S1, a light blue
outlet stream S2, and a light maroon duty
stream QE1.
Note that
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A process stream fully determined by HYSYS

is dark blue in the PFD, while a process
stream not fully determined is light blue.
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Tutorial 2.4
Similarly, energy streams fully determined are
dark maroon, and energy streams not fully
determined are light maroon.
The S2 and QE1 icons appear in light colors
because HYSYS can not calculate them until
you specify two more conditions, as implied
by the mathematical function in Step 6 above.
8. Click the cursor to the left of stream S1.
To de-select the E1, QE1, and S2 icons in the

PDF.
Select the QE1 icon an drag it up about 1 inch.
To re-position the QE1 icon so that the S2

icon is more visible.
D. Specify the heater outlet condition.

You have added a heater to your simulation and connected the inlet, outlet and
duty streams. The inlet stream conditions have been determined by HYSYS
using a temperature and pressure of 25C and 175 kPa. In this simulation, stream
S1 is to be heated to a saturated vapor at 162 kPa. Once you specify the outlet
stream vapor fraction and pressure, HYSYS will automatically calculate the
heaters pressure drop and heat duty. Proceed as follows:
To open its property window of tabbed views.
1. Double-click on the E1 icon in the PFD.
To view the Worksheet/Conditions page for

the heaters inlet, outlet, and duty streams.
Click on the Worksheet tab.

2. Place cursor on the right border of this view;
wait for cursor to change to symbol , then
drag the border to the right.
Note that
Stream S1 is fully determined but material

stream S2 and energy stream QE1 are not.
Stream QE1 has one blue empty cell, while
stream S2 has six. A blue empty cell implies
you can input a value in that cell, except for
the last three cells in S2. HYSYS can only
enter values for these cells. Of the three
acceptable blue empty cells, you must supply
values for any two before HYSYS will do the
calculations.
To specify a saturated-vapor outlet condition.
3. Enter 1 in Vapour fraction cell of stream S2.
To specify the pressure of the outlet stream.
Enter 162 kPa in Pressure cell of stream S2.

Note that
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To stretch the property window so you can

see the properties of all three streams
connected to heater E1.
2-26
With these two variables specified, the object

status area turns green, which indicates that
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Tutorial 2.4
HYSYS did the calculation successfully.
Note that
The remaining cells of streams QE1 and S2

are now filled with black, calculated values.
To view the heater parameters calculated by
HYSYS for your specified outlet conditions.
The calculated pressure drop is 13 kPa, and
the calculated heater duty is 1.0848e+7 kJ/h.
4. Select the Design tab, then the Parameters

page.
Note that
Once you have specified the process state of

the inlet stream, the heater can be simulated
by specifying any two of the following
variables: pressure drop, heat duty, outlet
vapor fraction, outlet temperature, and outlet
pressure.
To close the property window of unit

operation E1. The heater and stream icons in
the PFD are now dark colors, indicating the
heater equations have been successfully
solved, and all stream and heater variables are
determined.
6. Click the Save Case icon in the button bar.
To save the heater simulation case as a file

named heat.hsc in one of your personal
folders on the network file server.
E. Perform a case study.

You have just completed the steady-state simulation for the heater process
operation. Now you will add a case study to the flowsheet. The case study tool
allows you to monitor the steady-state response of key process variables to
changes in your process. From the list of variables created on the Variables
page, you designate the independent and dependent variables for each case study.
For each independent variable, you will specify a lower and upper bound, as well
as a step size. HYSYS varies the independent variables one at a time, and with
each change, the dependent variables are calculated and a new State (or data
point) is defined. Once the Case Study has solved for all data points, you can
examine the States in a table or view the results in a plot.
Basically, the case study provides a mechanism for you to do what if analyses.
For example, how does the heat duty of heater E1 vary when the outlet
temperature of stream S2 is changed from 25C to 250C in increments of 5C?
The HYSYS Data Book task gives you the tools to conduct this what if
analysis. To produce a plot of heat duty versus temperature, proceed as follows:
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1. Choose Tools/DataBook from the menu bar.
Press the <F4> key to hide the Object Palette.
2. Click on the Variables tab, if necessary.
To open the DataBook window and begin

your "what if" analysis.
You will be using the Variables and Case
Studies tabs to do your what if analysis.
To view Variables page of the Data Book.
You must identify those variables in the PFD
that are to be monitored by the Data Book.
Click the Insert button.
To open the Variable Navigator window.
Click QE1 in the Object column;

Click Heat Flow in the Variable column;
To connect the heat flow of the QE1 energy

stream in the PFD to the Data Book. This
variable will be used in the plot of heat duty
versus outlet temperature.
Click S2 in the Object column;

Click Temperature in the Variable column;
To connect the outlet temperature of stream

S2 in the PFD to the Data Book. This
variable will be used in the plot of heat duty
versus outlet temperature.
To return to the Variables page. You have

just identified the two variables in the PFD
that the Data Book will monitor. You are
now ready to perform the case study analysis.
3. Click the Case Studies tab.
To view the Case Studies page and begin

defining your what if analysis.
Click the Add button in the Available Case

Studies area.
To create a new case study in the Data Book.

Note that the Case Studies Data Selection
area becomes activated.
Enter Heater E1 Duty Profile in the Current

Case Study cell of the Case Studies Data
Selection area.
To give a unique identification to your case

study for a plot of heat duty versus outlet
temperature.
You are ready to select the dependent variable
as the heat duty and the independent variable
as the outlet temperature.
4. Click the Ind check box for temperature in the

Case Studies Data Selection area.
To identify the outlet temperature of stream

S2 as the independent variable in your study.
Note that you get an error message window.
To correct the conflict that the temperature of

stream S2 is not modifiable; that is, it is not a
specified variable with a blue value in the
PFD.
Press the OK button.
To remove the error message. You will now

change the calculation algorithm of heater E1
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to specify the outlet temperature of stream S2.
Press the Workbook icon on the button bar.
To see the streams in the Workbook window.
Delete the vapor fraction value of stream S2;

enter 25C in the Temperature cell of this
stream.
To specify the temperature instead of vapor

fraction in this stream. You have just made
the independent variable of a case study be a
specified, and thus a modifiable, variable in
the PFD simulation.
Choose Window/DataBook from the menu

bar.
To return to the DataBook window with the

Case Studies page in view.
5. Click the Ind check box for temperature again.
To make it the independent variable.
Click the Dep check box for the heat duty.
To make it the dependent variable.
Click the View... button in the Available Case

Studies area.
To access the Case Studies Setup window, in

which you will specify the value range of the
independent variable for your case study.
To specify the range for the outlet temperature
of stream S2 in the case study.
6. Enter 25C in the Low Bound cell;

Enter 250C in the High Bound cell; and
Enter 5C in the Step Size cell.
This range creates 46 data points in your case

study, as indicated by the Number of States
area.
To begin the Data Book calculations. For
each data point, the Case Study task request a
simulation to be done in the PFD and then
tabulates the result for the dependent variable.
7. Click the Start button in lower right of the

window.
Click the Results button immediately after you

have pressed the Start button.
To watch HYSYS generate the plot of heat

duty versus outlet temperature.

in the upper-right part of the Case Studies
window.
To enlarge the view of the plot. If you click

the Table radio button at the bottom of the
window, you can view each data point
generated by the Case Study task.
Note that
If you right click the mouse anywhere in the

plot, you can change its appearance and even
print it. For example, by selecting Graph
Control you can change the labels of the axes
to be more descriptive.
To return to the Case Studies Setup window.
To return to the Case Studies page of the

DataBook window.
You have just completed a Case Study task.
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This task greatly increases your ability to do
what if analysis in a reasonable amount of
time.
8. As a challenge, experiment with making the
heat duty the independent variable and the
temperature the dependent variable
You will need to change the conditions on

streams S2 and QE1 to reflect this new mode
of calculation, before you try to do the case
study.
F. Close the simulation case.

You will close the file containing your simulation case and then possibly exit
HYSYS.

not save it.

or

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Tutorial 2.5
HYSYS Printing Capabilities
This tutorial shows you how to document HYSYS results by printing the process flow
diagram (PFD), specification sheets (datasheets), and reports. A report puts multiple datasheets into
one package and prints them out together. Case study tables and plots can also be printed by
HYSYS.
You will document the HYSYS simulation created in the Heater and Case Study of
Tutorial 2.4. Your documentation activity in this tutorial is divided into seven sectionsstart the
HYSYS program, open an existing simulation file, print its PFD and an active window, print the
heater E1 datasheets, print the E1 case study plot, create a report, and close the simulation case.
To proceed, you must be familiar with the material in Tutorial 2.4.



bar.


Variables view.

if necessary.


for you to access. It is called print.hsc. This file is the basis for this tutorial that
prints a process flow diagram, an active window, heater datasheets, and a case
study plot. Proceed as follows to open print.hsc and save a copy of it:
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or


Manual/Chap 2.
To find the HYSYS simulation file print.hsc

Manual folder.
3. Double-click on the file named print.hsc,

or



or

Note that


larger.
To save your print.hsc simulation file.
C. Print the PFD and an active window.

A hardcopy of the process flowsheet is obtained by printing the HYSYS PFD
window. You can also print a hardcopy of an active window other than the PFD,
such as a page in the property window of a unit operation. In this tutorial you
will print the PFD of file print.hsc and a worksheet page of the heater property
window. Proceed as follows:
1. Click the Zoom All button in lower left of the
PFD window located between the and +.
To place the entire flowsheet in the PFD

window.
Note that
HYSYS prints only what is shown in this
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window. If you want to see the whole
flowsheet, view all of the PFD with the Zoom
All button before printing.
2. Choose File/Print Setup/Graphic Printer
from the menu bar.
To change the printer settings for the printing

of the PFD, plots, strip charts, and snapshots.
Check and set the Printer Name cell.
To select your destination printer.
To return to the HYSYS desktop.
3. Choose File/Print from the menu bar.
To print what is shown in the PFD window.
Note that
When printing the PFD, HYSYS prints

automatically and does not give you the
chance to preview what will be printed.
Because of this fact, be sure the PFD contains
what you want to be printed.
4. Double-click on heater E1 icon in the PFD.

Select the Worksheet/Conditions page.
To view the conditions of the heaters inlet,

outlet, and duty streams.
Place cursor on the right border of this view;

wait for cursor to change to symbol , then
drag the border to the right.

connected to heater E1.
Note that
5. Choose File/Print Window Snapshot from the

menu bar.
Note that
Click the Close button of the E1 property view.
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If the E1 window is in the modal view, click

the pin icon in the upper right corner next to
the icon to change this window to the nonmodal view. You must be in the non-modal
view to do Step 5 below.
To print the active window, the
Worksheet/Conditions page of the E1
property window, as it appears on the screen.
When printing this view, HYSYS prints
automatically and does not give you the
chance to preview what will be printed.
Because of this fact, be sure the active
window contains what you want to be printed.
To return to the PFD window.
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Tutorial 2.5
D. Print the heater datasheets.
A datasheet is a printout of informationspecifications and resultsabout a
worksheet, process stream or unit operation. Four types of datasheetsDesign,
Worksheet, Performance, and Dynamicsexist. For this tutorial, you want the
inlet and outlet stream states to be included, so you will choose the Design and
Worksheet datasheet. Proceed as follows to print information for heater E1:
1. Double-click on heater E1 icon in the PFD.

Note that
To print a stream or unit operation datasheet,

the property window of that object must be
the active window in the HYSYS desktop.
Step 2 below requires that the E1 window be
in the non-modal view, before you try to print.
To change the printer settings for the printing
of datasheets, reports, and text.
2. Choose File/Print Setup/Report Printer

from the menu bar.
To select your destination printer.
Check and set the Printer Name cell.

Note that
This printer can be the same as the HYSYS

graphics printer, if it is a laser printer.
To return to the HYSYS desktop.

3. Choose File/Print from the menu bar.
To open the Select Datablocks window with

its options of available datasheets for the
heater E1 object.
4. Uncheck all Datablocks except for Design and

Worksheet.
To select the design and worksheet datasheets

for heater E1.
To see what will be printed.
Click on the Preview button

Note that
.
You should always preview to ensure that the

chosen datasheets contain the information that
you desire.
5. Click on the Print button.
To print the selected datasheets of heater E1.

To close the Report Preview window.

To close the Selected Datablocks window.
To close the heater E1 property window.
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E. Print the case study plot.
The heater case study created in the Heater and Case Study tutorial produced a
plot of heater duty versus outlet temperature. This case study is already included
in the print.hsc file. Proceed as follows to print the case study plot:
1. Choose Window/Case Studies Main from
the menu bar.
To view the case study plot of the Heater E1

Duty Profile.
2. Click the secondary-mouse button in the plot.
To open the popup menu with many options.
Note that
The secondary mouse button is normally the

right button, provided you have not changed
the mouse settings through Windows.
Click on the Print Plot button.
To print the case study plot for heater E1.

HYSYS automatically prints a full-page
version of this case study plot.
Note that
Before you print, you could select the Graph

Control button of the popup menu to set
color, symbol, line style, axis label, title, etc.
To close the case-study plot window and
return to the PFD window.
F. Create a report.
In Step D above, you used the File/Print menu to print the Design and
Worksheet datasheets for the heater. This technique of printing will always
present the Design datasheet first followed by the Worksheet datasheet. If you
would like to, you can compile datasheets into a different order using the HYSYS
report capability. Proceed as follows to create a customized, two-page report for
the heater simulation in this tutorial:
1. Choose Tools/Reports from the menu bar.
To open the Report Manager window.
Click the Create button.
To open the Report Builder window.
Enter Heater E3 Report in Report Name cell;

To give your simulation report a unique and

understandable identification.
Click the Insert Datasheet button.
To open the Select Datablocks for Datasheet

window.
2. Click Pick a Specific Object by Name in the

Source for Datablocks area, if necessary.
To display all of the flowsheet objects in the

Objects area with a filter of All.
3.
To place only the worksheet datasheet for
Click S1 under the Objects area, then select
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only Worksheet in Available Datablocks,
Stream S1 in the customized report that you

are building.
Click S2 under the Objects area, then select

only Worksheet in Available Datablocks,
To place only the worksheet datasheet for

Stream S2 in the customized report that you
are building.
Click E1 under the Objects area, then select

only Design in Available Datablocks area,
To place only the design datasheet for heater

E1 in the customized report that you are
building.
Click the Done button.
To return to the Report Builder window,

which now displays the datasheets in the order
in which they will be printed in your
customized report.
4. Click the Preview button at the bottom of the

window.
To view your customized report in the Report

Preview window.
Note that
You can scroll through this window to see the

contents of your report.
If you are satisfied with the reports contents,
you can print this report by clicking the Print
button.
5. Click the Close button in Report Preview.
To return to the Report Builder window.
Click the Close button in Report Builder.
To return to the Report Manager window.
Note that
Click the Close button in Report Manager.
Heater E3 Report is listed in the Reports

area of this window.
To close the Report Manager window and
return to the PFD window.

HYSYS.

not save it.

or

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Tutorial 2.6
Conversion Reactor and Reactions
In Tutorial 2.4, you conducted a HYSYS simulation on heating a process stream that
contained benzene, propylene, propane, and cumene. In this tutorial, you will add a reactor unit
operation to the simulation. You will begin with the existing file named conv.hsc located on the
network file server. The pre-defined simulation in this file is set for the Peng-Robinson-StryjeckVera (PRSV) fluid package with four chemical components and a heater process unit, named E1.
Reaction information (i.e., stoichiometric equations with their models) can be attached to certain
HYSYS process unit operations to simulate the reaction of chemical compounds. Reactions can
be specified in HYSYS by conversion, equilibrium, or kinetic models. This tutorial shows you
how to add a conversion reactor and the needed reaction information for the isothermal, vaporphase reaction of propene and benzene to form cumene, as expressed by the following
stoichiometric equation:
C3H6
C6H6
C9H12
In the conceptual model below, you will determine what duty ( Q R1 in kJ/h) is required to operate
the isothermal reactor R1; that is, how much heat is required for the endothermic reaction, so that
the inlet (S2) and outlet (S3) streams are at the same temperature.
TS1 =
25 D C
PS1 = 3095 kPa
Q E1 = ?
TS 3 = 350 DC
Q R1 = ?
PS 3 = 3025 kPa
n S 3 = ?
n S1 = 329.6 kgmol / h
z S1, BZ = 0.648
S1
z S1, PY = 0.335
z S1, PR = 0.017
z S1,CU = 0.0
E1
heater
S2
TS 2 = 350 D C
PS 2 = 3075 kPa
R1
reactor
S3
z S 3, BZ = ?
z S 3, PY = ?
z S 3, PR = ?
z S 3,CU = ?
The molar conversion of propene for reactor R1 (i.e., amount reacted divided by the amount fed) is
eighty-three percent for a specific catalyst. This tutorial is divided into six sectionsstart the
HYSYS program, open an existing simulation file, add a reaction to the fluid package, add a
reactor to the flowsheet, specify the reactor outlet conditions, and close the simulation case. To
proceed, you must be familiar with the material in Tutorial 2.4.

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Tutorial 2.6


bar.

.
Variables view.

if necessary.


for you to access. It is called conv.hsc. This file is the basis for this tutorial that
simulates a reactor unit using a conversion reaction model. Proceed as follows to
open conv.hsc and save a copy of it:
or


Manual/Chap 2.
To find the HYSYS simulation file conv.hsc

Manual folder.
3. Double-click on the file named conv.hsc,

or

Process Flow Diagram (PFD) window and the
Workbook window appear in the HYSYS
desktop.

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or

Note that


larger.
To save your conv.hsc simulation file.
C. Add a reaction to the fluid package.

Reaction information (i.e., stoichiometric equations with their models) must be supplied
to the Reaction Manager in the Simulation Basis Manager. These reactions
must be connected to a fluid package before a reactor can be simulated in the
process flow diagram (PFD), often called a flowsheet.
When building a fluid package for a new simulation that will contain a reaction
or reactions, the reaction information is usually connected to the fluid package
before the flowsheet is created. However, the fluid package can be altered
throughout the process simulation, and reactions can be connected to the fluid
package later.
The fluid package in conv.hsc does not contain the necessary reaction
information for the reaction of propylene and benzene to form cuemene. Using
the Reactions page of the Simulation Basis Manager, you create a chemical
reaction and add it to a reaction set, and you then attach a reaction set to the fluid
package. Proceed as follows:
1. Click on the Enter Basis Environment icon in
the button bar.
Click on the Reactions tab.

window that contains tabbed views.
To view the Reactions page. This page is
where you can define an unlimited number of
reactions and collect combinations of these
reactions into reaction sets.
2. Click the Add Rxn button in the Reactions

area on the middle of the page.
To open the Reactions window and create a

new chemical reaction.
Click Conversion in the Reactions pop-up
To select it as the chemical reaction model.
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window, if necessary.
Other types of models that you can select

from are equilibrium and kinetic.
Click the Add Reaction button.

.
Enter PY Conversion in the Name cell at the
bottom of the window.
To open the Conversion Reaction window.
Note that
3. Click the cell in the Component column with a

blue **Add Comp** value in it.
To give the reaction you are about to define a

unique identification, for the conversion of
propylene (propene) and benzene to form
cumene.
The status area of the Conversion Reaction
window currently is a red Not Ready,
meaning that you must supply more reaction
information.
To begin the procedure of selecting the
chemical components in the cumene reaction.
Choose propene from drop-down menu of

near the top of Conversion Reaction window.
To add propylene to the chemical reaction.
Repeat for benzene and cumene, in that order.
To complete the components in the reaction.
Note that
Propane does not participate in the reaction;

therefore, it is not entered into the
Conversion Reaction window.
4. Enter -1 in the Stoich Coeff cell for propene.

Enter -1 in the Stoich Coeff cell for benzene.
Enter 1 in the Stoich Coeff cell for cumene.
To specify the stoichiometric coefficients of

all three chemical components. These
components are in a 1:1:1 molar ratio.
Note that
Reactants must have negative stoichiometric

coefficients, while products must have
positive stoichiometric coefficients.
Note that
The Balance Error cell will equal zero when a

valid reaction stoichiometry is specified.
Note that
The status area is still a red Not Ready,

meaning you must supply a conversion basis.
5. Click on the Basis tab.
To view the Basis page of the Conversion

Reaction window.
Enter Propene in the Base Component cell,

using the drop-down menu of , if necessary.
Note that
To specify propene as the base component for

a conversion reaction model.
The base component is the limiting reactant in
a chemical reaction. Since stream S2 contains
213.6 kgmol/h of benzene and 110.5 kgmol/h
of propene, propene is the limiting reactant.
To specify an 83% molar conversion of
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propene. This means that 83% of the propene
fed to the reactor will react to form cumene.
Enter 83 in the Co coefficient cell.

Note that

The status area in the Conversion Reaction

window is now a green Ready message. You
have just completed the specification for one
conversion reaction.
To close the Conversion Reaction window.
To close the small Reactions window and
return to the Reactions page of the Simulation
Basis Manager.
Note that
The Reactions area in the middle of the

Reactions page lists PY Conversion as the
first reaction in the Reaction Manager. If you
had other reactions to define, you would
proceed to add them through the Add Rxn
button, like you did for the cumene reaction.
Note that
All reactions in the Reactions area are placed

automatically into the Global Rxn Set by
HYSYS. This set is listed in the Reaction
Sets area at the right side of the Reactions
page.
Note that
For different reactions to be carried out in

different process units of a process flow
diagram (PFD), new reaction sets need to be
created in the Reaction Sets area of the
Reaction Manager. Since you need only one
reaction for this tutorial simulation, you can
connect the pre-defined global reaction set to
a fluid package.
To choose the global reaction set. This global
set contains only the PY Conversion reaction.
6. Click Global Rxn Set in the Reaction Sets

area, if it is not selected.
Click the Add to FP button at the bottom of the
Reaction Sets area.
To associate the global reaction set with the

current fluid package. The reaction set must
be added to the fluid package in order for the
reactions to be used in a process unit of a
flowsheet.
Click Basis-1 in the Add Global Rxn Set

window, and then click the Add Set to Fluid
Package button.
To add the global reaction set to the Basis-1

fluid package.
Note that
Basis-1 now appears under the Associated

Fluid Packages of the Reaction Sets area.


contains the PFD and workbook windows.
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You have just completed the addition of a
conversion reaction to your fluid package.
D. Add a reactor to the flowsheet.

Now that you have added the reaction information to the simulation fluid
package, you can add a reactor vessel to the simulation. HYSYS contains many
reactor modules, including general reactors (such as conversion and equilibrium
reactors), plug flow reactors, and continuous stirred tank reactors. You will use a
general conversion reactor for the simulation of the cumene reaction. This
section explains how to add a reactor operation to the existing process flow
diagram. The heated stream S2 is fed to reactor R1 to create a reactor product
called stream S3, as depicted in the figure at the beginning of this tutorial. The
reactor requires a duty stream QR1. Proceed as follows to add the conversion
reactor to the PFD:
1. Press the <F4> function key on the keyboard;
in the HYSYS desktop.
Note that

operations.
reveal its name.
Click the General Reactors icon in the Object

Palette.
To open a small, sub-palette window that

contains three general reactor icons.
Click the Conversion Reactor icon in the subpalette; move the cursor into the PFD just to
the right of and slightly below stream S2; and
click the mouse button.
To add the CONVERSION REACTOR unit

operation into the PFD window. The reactor
icon is labeled with CRV-100.

reactor and its inlet and outlet streams.
2. Double click on CRV-100 icon in the PFD.
The Design page is currently visible in the

CRV-100 property window for the reactor.
Note that
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green.
To view the Connections page of CRV-100.
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Tutorial 2.6
Enter R1 in the Name cell of this page;
To change the reactor name from the default

of CRV-100 to R1. HYSYS assigns a default
name to every stream and unit operation that
you create.
Note that

stream to reactor R1.
4. Click in the topmost Inlets cell and select S2

from the drop-down menu of near the top
right of the window.
or
Enter S2 in this cell.
Note that
To connect stream S2 as the feed stream to the

conversion reactor operation. HYSYS allows
multiple feed streams to reactors. Your
simulation requires only one feed stream.
5. Enter S3 in the Vapour Outlet cell.

outlet stream to reactor R1.
To define stream S3 as the product stream
leaving the reactor process operation.
Stream S3 did not previously exist in the
flowsheet. Thus, naming the reactor outlet as
S3 creates a new process stream called S3.
Enter S4 in the Liquid Outlet cell.
To define stream S4 as the liquid stream.
Note that
Conversion reactors in a HYSYS simulation

may produce a vapor outlet stream, liquid
outlet stream, or both. In your simulation, the
reaction is in the vapor phase only; however,
HYSYS requires that a liquid product stream
be defined.
Note that
The red object status of Requires a Reaction

Set implies that you must supply additional
data before HYSYS can simulate reactor R1.
6. Enter QR1 in the Energy cell.
To define stream QR1 as the energy stream

that will supply heat to the endothermic
reaction of the reactor operation.
Energy stream QR1 did not previously exist
in the flowsheet. Thus, naming the rector
duty creates a new energy stream called QR1.
You picked the name QR1 because symbol Q
stands for heat duty and R1 implies that this
Q is associated with unit operation R1.
Note that
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An energy stream is optional for the reactor.

An adiabatic reactor would not have a duty
stream. You are simulating an isothermal
reactor (i.e., same inlet and outlet temperature),
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Tutorial 2.6
and it requires a duty stream.
Note that

data before HYSYS can simulate reactor R1.
Note that
You are going to simulate the reactor as

shown mathematically by:
S 3 , PR1 , Q R1 = reactor S 2 , TS 3 , PS 3
where reactor is the function whose variables

To close the property window of reactor R1.

The PFD now contains the reactor R1 icon
with a dark blue inlet stream S2, a light blue
outlet stream S3, and a light maroon duty
stream QR1.
Note that

The S3 and QR1 icons appear in light colors
because HYSYS can not calculate them until
you specify two more conditions, as implied
by the mathematical function in Step 6 above.
E. Specify the reactor outlet conditions.

You have added a conversion reactor to your simulation and connected the feed,
product, and duty stream names. The feed stream conditions are already known
from the HYSYS simulation of the heater E1 operation. You must now connect
the conversion reaction set for cumene to the reactor, and then specify the
product stream temperature and pressure. Once you have made these
specifications, HYSYS will automatically calculate the reactors pressure drop
and heat duty. The calculations for reactor R1 involve the algebraic solution of
the material and energy balances. Proceed as follows:
To open its property view of tabbed views.
1. Double-click on the R1 icon in the PFD.
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Select the Reactions/Details page.
To view the details for the chemical reactions.

You must attach a reaction set to reactor R1.
Click the cursor in the Reaction Set cell.
To get the vertical bar in that cell.
Select Global Rxn Set from the drop-down

menu of to the right of this cell.
To connect the global reaction set to reactor

R1 for the cumene reaction.
Click the View Reaction button in the upper

The Conversion Reaction page shows a

green Ready message and a conversion value
of 83% for the PY Conversion reaction. The
cell with the blue value of 83.00 can be
changed at any time. For now, leave it at
83%.
To return to the Reactions/Details page.

Note that

page.
To view the Design/Parameters page in the

R1 - Global Rxn Set window.
To de-activate its blue value of 0.0000 kPa to
a blank cell. By this action, you inform
HYSYS to calculate the Delta P value.
Click in the Delta P cell, and then

hit the <Delete> key.
Note that
3. Select the Worksheet tab, then the Conditions

page.
If necessary, place cursor on the right border of
this view; wait for cursor to change to symbol
, then drag the border to the right.
Note that
Since you will be specifying the reactor outlet

stream pressure, HYSYS will then calculate
the pressure drop (Delta P) from the known
values of the feed and outlet stream pressures.
To view the conditions of the reactors inlet,
see the properties of all four streams
connected to reactor R1.
Stream S2 is fully determined but material
stream S3 and energy stream QR1 are not.
Stream QR1 has one blue empty cell, while
stream S3 has nine. A blue empty cell implies
you can input a value in that cell, except for
the last four in stream S3. HYSYS can only
enter values in these cells. Of the first four
blue empty cells, you must supply values for
any two before HYSYS will do the
calculations.
To specify a temperature for the outlet stream.
4. Enter 350 C in the Temperature cell of S3.
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The yellow object status of Unkown Duty

near the bottom of the window implies that
you must supply additional data before
HYSYS can simulate reactor R1.
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Tutorial 2.6
To specify a pressure for the outlet stream.
Enter 3025 kPa in the Pressure cell of S3.

Note that

Note that
The remaining cells of streams QR1 and S3

To view the reactor parameters calculated by
the calculated reactor duty is 9.1187e6 kJ/h.

page.
Note that

the feed stream, the reactor can be simulated
pressure.
operation R1. The reactor and stream icons in
the PFD are now dark colors, indicating the
reactor equations have been successfully
solved, and all stream and reactor variables
are determined.

HYSYS.
To place the entire flowsheet in full view of

the PFD window.
2. Click the Save Case icon in the button bar.
To save the reactor simulation case as a file

named conv.hsc in one of your personal
folders on the network file server.
3. Choose File/Close Case from the menu bar.

or
Press the <Ctrl><Z> keys simultaneously.
To close the current simulation case file.

or

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Tutorial 2.7
Gibbs Equilibrium Reactor
In Tutorial 2.6, you conducted a HYSYS simulation on a flowsheet that contained a
heater and an isothermal reactor that had benzene, propylene, propane, and cumene flowing
through them. You learned how to define a conversion reaction set for the following
stoichiometric equation:
C3H6
propene
C6H6
benzene
C9H12
cumene
You also associated this reaction set with a fluid package and attached it to a conversion reactor
unit. Your HYSYS simulation of this reactor determined the heat duty needed to maintain the
endothermic reaction at isothermal conditions. In this tutorial, you will add a Gibbs reactor unit
to this flowsheet and compare its simulation results to those from the conversion reactor. You
will begin with the existing file named equil.hsc located on the network file server. The predefined simulation in this file is set for the Peng-Robinson-Stryjeck-Vera (PRSV) fluid package
with four chemical components and a heater process unit, named E1, and a conversion reactor
unit, named R1.
In most reactor units, catalysts are used to increase the rate of reaction; that is, the speed
of converting the reactants into products. Different catalysts when placed in a fixed reactor
volume will produce a range of conversions for the reactants; that is, some catalysts will do better
then others with respect to conversion. In Tutorial 2.6, you used an experimentally-determined
molar conversion for a specific catalyst at a given temperature and pressure of operation.
Thermodynamic equilibrium sets a theoretical limit on the extent to which reactants can
be converted into products, and this limit cannot be changed by catalysts. This limit is the best
you could expect, provided you could find the right catalyst to achieve it. The HYSYS Gibbs
reaction model predicts thermodynamic equilibrium by minimizing the total Gibbs free energy of
the reacting system, and it does so without having to know the reaction stoichiometry, because it
uses atom balances instead of mole balances. When you add a Gibbs reactor to a HYSYS
simulation, you can determine the theoretical conversion limit for any reaction. This tutorial is
divided into six sectionsstart the HYSYS program, open an existing simulation file, copy a
reactor feed stream, add a Gibbs reactor to the flowsheet, specify the reactor outlet conditions,

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bar.

.
Variables view.

if necessary.


for you to access. It is called equil.hsc. This file is the basis for this tutorial that
simulates an equilibrium reactor using the Gibbs reaction model. Proceed as
follows to open equil.hsc and save a copy of it:
or


Manual/Chap 2.
To find the HYSYS simulation file equil.hsc

Manual folder.
3. Double-click on the file named equil.hsc,

or

desktop.


or

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larger.
Note that

To save your equil.hsc simulation file.
C. Copy a reactor feed stream.

To compare the simulation results of the conversion reactor and the Gibbs
reactor, the two reactors must have the same feed stream conditions. The
HYSYS copy stream utility allows you to retrieve the conditions of one stream to
set the conditions of another stream. Proceed as follows to create a new feed
stream S2g for the Gibbs reactor and assign it the same conditions as those of
stream S2, the conversion reactor feed.
1. Click the middle Maximize Window icon
in the upper-right part of the PFD window.
Press the <F4> function key on the keyboard;
in the PFD window.
Note that
Object Palette, move the cursor into the PFD
about 2 inches below the label QR1, and click.
Note that

operations.
reveal its name.

To display the vapor fraction, temperature,
pressure, molar flow, etc. of the stream.
Select the Worksheet/Conditions page, if

necessary.
Note that
4. Enter S2g in the Stream Name cell of stream 1

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To expand the PFD Case(Main) window to

fit the full area of the HYSYS desktop.
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The object status area of this window has a

yellow Unknown Compositions message,
implying that you must supply more data.
value of 1 to S2g.
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Tutorial 2.7
5. Click on the Define From Other Stream

button.
Streams area.

copied into stream S2g. The object status at
S2g turns green and shows OK, indicating the
new stream now has been determined.
To close the property window of stream S2g.
To view the stream conditions. Stream S2g is

at the same temperature, pressure, flow, and
composition as stream S2.
Click the PFD icon on the button bar.
To view the process flow diagram.
D. Add a Gibbs reactor to the flowsheet.

Now that you have created a feed stream for the reactor, you will now add a
Gibbs reactor vessel to the simulation. The stream S2g will be fed to reactor R1g
to create a product stream named S3g. The reactor requires a heat duty stream
named QR1g. Proceed as follows:
1. Click the General Reactors icon in the Object
Palette.
To open a small, sub-palette window that

contains three general reactor icons.
To add the GIBBS REACTOR unit
icon is labeled with GBR-100.
Click the Gibbs Reactor icon in the subpalette; move the cursor into the PFD just to
the right of stream S2g; and click the mouse
button.

2. Double click on GBR-100 icon in the PFD.
Note that

visible in the reactor property window.
green.
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To view the Connections page of GBR-100.
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Tutorial 2.7
Enter R1g in the Name cell of this page;
Note that
4. Click in the topmost Inlets cell and select S2g

or
Enter S2g in this cell.
Note that
5. Enter S3g in the Vapour Outlet cell.

of GBR-100 to R1g. HYSYS assigns a
default name to every stream and unit
operation that you create.
stream to reactor R1g.
To connect stream S2g as the feed stream to
the Gibbs reactor operation. HYSYS allows
multiple feed streams to reactors. Your
simulation requires only one feed stream.
outlet stream to reactor R1g.
To define stream S3g as the product stream
Stream S3g did not previously exist in the
S3g creates a new process stream called S3g.
Enter S4g in the Liquid Outlet cell.
To define stream S4g as the liquid stream.
Note that
Gibbs reactors in a HYSYS simulation may

produce a vapor outlet stream, liquid outlet
stream, or both. In your simulation, the
reaction is in the vapor phase only; however,
HYSYS requires that a liquid product stream
be defined.
Note that
The green object status of OK implies that

HYSYS had sufficient information to simulate
Gibbs R1g as an adiabatic reactor, one
without an energy stream.
6. Enter QR1g in the Energy cell.
To define stream QR1g as the energy stream

Energy stream QR1g did not previously exist
duty creates a new energy stream called
QR1g. You picked the name QR1g because
symbol Q stands for heat duty and R1g
implies that this Q is associated with unit
operation R1g.
Note that
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Note that
The yellow object status of Unknown Duty

implies that you must supply additional data
before HYSYS can simulate reactor R1g.
Note that

S 3 g , PR1 g , Q R1 g = gibbs S 2 g , TS 3 g , PS 3 g
where gibbs is the function whose variables

To close the property window of reactor R1g.
Click to the left of the stream S2g icon.
To de-select the items around the reactor R1g.
Click the Zoom All button in lower left of the


the PFD window.
The PFD now contains the reactor R1g icon
with a dark blue inlet stream S2g, a light blue
outlet stream S3g, and a light maroon duty
stream QR1g.
Note that

The S3g and QR1g icons appear in light
colors because HYSYS can not calculate them
until you specify two more conditions, as
implied by the mathematical function in Step
6 above.
E. Specify the reactor outlet conditions.

You have added a Gibbs reactor to your simulation and connected the feed,
from the HYSYS simulation of the heater E1 operation. Now you will specify
the product stream temperature and pressure. The stoichiometry for the cumene
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Tutorial 2.7
reaction is not needed by the Gibbs reactor, because it minimize the total Gibbs
free energy using the atom balances. Once you have made these specifications,
HYSYS will automatically calculate the reactors pressure drop and heat duty.
Proceed as follows:
1. Double-click on the R1g icon in the PFD.

Select the Reactions/Overall page.
To view the Reactor Type area of this page.

You must define the reactor type for R1g.
Click on Gibbs Reactions Only in the

Reactor Type area, if necessary.
To select the Gibbs reaction model when the

reaction stoichiometry is not known.
A Gibbs reactor can also be used with
equilibrium reactions, or with no reactions so
that the vessel acts like a separator.
Note that

page.

HYSYS can simulate reactor R1g.
To view the Design/Parameters page in the
Gibbs reactor R1g window.
To de-activate its blue value of 0.0000 kPa to
a blank value. By this action, you inform
HYSYS to calculate the Delta P value.
Click in Delta P cell, then hit <Delete> key.
Note that

page.
Since you will be specifying the reactor outlet

stream pressure, HYSYS will then calculate
the pressure drop (Delta P) from the known
values of the feed and outlet stream pressures.
connected to reactor R1g.
Note that
Stream S2g is fully determined but material

stream S3g and energy stream QR1g are not.
Stream QR1g has one blue empty cell, while
stream S3g has nine. A blue empty cell
implies you can input a value in that cell,
except for the last four in stream S3g.
HYSYS can only enter values in these cells.
Of the first four blue empty cells, you must
supply values for any two before HYSYS will
do the calculations.
4. Enter 350 C in the Temperature cell of S3g.
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Enter 3025 kPa in the Pressure cell of S3g.

Note that

Note that
The remaining cells of streams QR1g and S3g

the calculated reactor duty is 7.719e6 kJ/h.

page.
Note that

pressure.
operation R1g. The reactor and stream icons
in the PFD are now dark colors, indicating the
are determined.
Note that
You have just completed the simulation for

the Gibbs reactor. You will now compare its
conversion for propene to the 83% used in the
conversion reactor of Tutorial 2.6. But first,
you will re-format the Workbook to facilitate
this comparison.
Choose Workbook/Setup from the menu

bar.


window.
----------------------------------------Click Comp Molar Flow in Variable area,

To add all the component molar flows to the

Streams page of the workbook.
Click the Close button in the Setup window.
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Tutorial 2.7
all stream component molar flow rates appear
in the workbook.
----------------------------------------Choose Workbook/Order/Hide Objects
from the menu bar.
To open the Order/Hide/Reveal Objects

window and change the organization of the
workbook.
Click button Ascending in the Sorting area.
To re-organize the material and energy

streams in ascending order based on their
names.
Use the Down arrow in the Move Selection

area.
To move item S4 in the list down to just

before S4g.
To return to the Workbook window.
----------------------------------------Drag the lower right corner of the Workbook

window either right, left, or down.
Note that
You are now ready to compare the conversion

reactor (streams S2 and S3) to the Gibbs reactor
(streams S2g and S3g).
To make the following observations about the
component molar flow rates:
those of benzene and propene decrease
which is the case for the two reactants,
that of propane is constant which is the
case for an inert compound,
that of cumene increases as expected
which is the case for the product.
These observations confirm our expectations.
8. Compare feed stream S2 to product stream S3

for the conversion reactor.
Compare feed stream S2g to product stream S3g

for the Gibbs reactor.
Why does the Gibbs reactor give unexpected

simulation results?
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To have streams S2, S3, S2g, and S3g appear

contiguously across the Workbook window.
2-55

those of benzene and propane increase
which is unexpected, since one is a
reactant and the other is an inert,
that of propene decrease to a very low
amount,
that of cumene increases somewhat.
The first observation is counter intuitive,
while the last two exhibited correct trends.
The Gibbs reactor model assumes that all
chemical components in the feed stream are
present in the equilibrium reaction, when the
total Gibbs free energy of the reacting system
is minimized. Because the inert of propane is
present, it causes the erroneous results.
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Tutorial 2.7
Therefore, the Gibbs reactor must be
simulated with only benzene, propene, and
cumene present in the HYSYS fluid package.
9. As an experiment, run HYSYS to determine
the molar conversion of propene for a Gibbs
reactor where its feed stream contains only
benzene, propene, and cumene.
You will need to start with file gibbs.hsc and

modify it. If you like, proceed as follows:
1. remove propane from fluid package;
2. do not define a reaction set;
3. return to the simulation environment
in the HOLDING mode.
4. open the Workbook window.
5. change the propene and benzene
flows to 1 kgmol/h each, giving a
total flow of 2 kgmol/h;
6. enter 350C and 3025 kPa for the
product stream S3g;
7. click the green GO icon in the button
bar to have the calculations done.
You should get a propene conversion, based
on the Gibbs model, of 94.1 molar percent.
This 94.1% is the equilibrium limit for the
reaction. If you could find the right catalyst,
the best you could expect for the propene
conversion is this theoretical limit.
Note that
When a Gibbs reactor predicts an equilibrium

limit near 100%, the reaction is considered
irreversible; that is, it goes to completion.

You will close the file of your simulation case and then possibly exit HYSYS.
Proceed as follows:
or
Press the <Ctrl><Z> keys simultaneously,

not save it.

or

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Tutorial 2.8
Kinetic Model and a Plug Flow Reactor
In Tutorial 2.6, you conducted a HYSYS simulation on an isothermal reactor using a
conversion reaction model for the following stoichiometric equation:
C3H6
propene
C6H6
benzene
C9H12
cumene
You specified a molar propene conversion of 83%, and propane was present in the reactor feed as
an inert compound. In Tutorial 2.7, you did another simulation on the same isothermal reactor,
but you used the Gibbs reaction model to predict an equilibrium propene conversion of 94.1% for
the above reaction. This conversion represents the best you could expect; it is the theoretical
limit on the propene conversion.
In this tutorial, you will again study the isothermal reaction, but you will simulate it using
a plug flow reactor with a kinetic model and then compare your results to those from Tutorials 2.6
and 2.7. An experimentally-determined kinetic model for a particular catalyst is used to predict
the behavior of a specific reaction to changes in temperature and pressure. You will begin with
the existing file named kinetic.hsc located on the network file server. The pre-defined simulation
in this file is set for the Peng-Robinson-Stryjeck-Vera (PRSV) fluid package with four chemical
components and a heater process unit, named E1, and a conversion reactor unit, named R1.
This tutorial is divided into seven sectionsstart the HYSYS program, open an existing
simulation file, copy a reactor feed stream, add a plug flow reactor to the flowsheet, add a kinetic
reaction set to the fluid package, specify the reactor parameters and outlet conditions, and close
the simulation case. To proceed, you must be familiar with the material in Tutorials 2.6 and 2.7.



bar.


Variables view.
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if necessary.



for you to access. It is called kinetic.hsc. This file is the basis for this tutorial
that simulates an isothermal reaction using a plug flow reactor with a kinetic
model. Proceed as follows to open kinetic.hsc and save a copy of it:
or


Manual/Chap 2.
To find the HYSYS simulation file

kinetic.hsc on the network file server in the
HYSYS Manual folder.
3. Double-click on the file named kinetic.hsc,

or

desktop.


or

Note that

To save your kinetic.hsc simulation file.
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C. Copy a reactor feed stream.

To compare the simulation results of the conversion reactor and the plug flow
reactor, the two reactors must have the same feed stream conditions. The
HYSYS copy stream utility allows you to retrieve the conditions of one stream to
set the conditions of another stream. Proceed as follows to create a new feed
stream S2k for the plug flow reactor and assign it the same conditions as those of
stream S2, the conversion reactor feed.
Press the <F4> function key on the keyboard;
in the PFD window.
Note that
Object Palette, move the cursor into the PFD
about 2 inches below the label QR1, and click.
Note that
To expand the PFD Case(Main) window to

fit the full area of the HYSYS desktop.
operations.
reveal its name.

To display the vapor fraction, temperature,
pressure, molar flow, etc. of the stream.
Select the Worksheet/Conditions page, if

necessary.
Note that
4. Enter S2k in Stream Name cell of stream 1;

The object status area of this window has a

yellow Unknown Compositions message,
implying that you must supply more data.
value of 1 to S2k.
5. Click the Define From Other Stream

button.
Streams.

copied into stream S2k. The object status at
S2k turns green and shows OK, indicating the
new stream now has been determined.
To close the property window of stream S2k.
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To view the stream conditions. Stream S2k is
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Tutorial 2.8
at the same temperature, pressure, flow, and
composition as stream S2.
Click the PFD icon on the button bar.
To view the process flow diagram.
D. Add a plug flow reactor to the flowsheet.

Now that you have created a feed stream for the reactor, you will now add a plug
flow reactor (PFR) to the simulation. The stream S2g will be fed to reactor R1k
to create a product stream named S3k. The reactor requires a heat duty stream
named QR1k. Proceed as follows:
1. Click the Plug Flow Reactor icon in the
Object Palette; move the cursor into the PFD
just to the right of stream S2k; and click the
mouse button.
To add the PLUG FLOW REACTOR unit

icon is labeled with PFR-100.

2. Double click on the PFR-100 icon in the PFD.

visible in the PFR-100 property window for
the reactor.
Note that

Enter R1k in the Name cell of this page;
Note that
4. Click in the topmost Inlet cell and select S2k

or
Enter S2k in this cell.
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green.
To view the Connections page of PFR-100.
of PFR-100 to R1g. HYSYS assigns a
default name to every stream and unit
operation that you create.
stream to reactor R1k.
To connect stream S2k as the feed stream to
the plug flow reactor operation. HYSYS
allows multiple feed streams to reactors.
Your simulation requires only one feed
stream.
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Tutorial 2.8
Note that
5. Enter S3k in the Outlet cell.

outlet stream to reactor R1k.
To define stream S3k as the product stream
Stream S3k did not previously exist in the
S3k creates a new process stream called S3k.
Note that
6. Enter QR1k in the Energy cell.

data before HYSYS can simulate reactor R1k.
To define stream QR1k as the energy stream
Energy stream QR1k did not previously exist
duty creates a new energy stream called
QR1k. You picked the name QR1k because
symbol Q stands for heat duty and R1k
implies that this Q is associated with unit
operation R1k.
Note that

Note that

data before HYSYS can simulate reactor R1k.
Note that

S 3 k , PR1 k , Q R1 k = plugr S 2 k , TS 3 k , PS 3 k
where plugr is the function whose variables

those variables on the right are specified.
Although not shown, dimensional data for the
reactor must be supplied. The vector i is a
short notation to represent the temperature,
pressure, flow rate, and chemical composition
of Stream i.
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To close the property window of reactor R1k.
Click to the left of the stream S2k icon.
To de-select the items around the reactor R1k.


the PFD window.
The PFD now contains the reactor R1k icon
with a dark blue inlet stream S2k, a light blue
outlet stream S3k, and a light maroon duty
stream QR1k.
Note that

The S3k and QR1k icons appear in light
colors because HYSYS can not calculate them
until you specify two more conditions, as
implied by the mathematical function in Step
6 above.
E. Add a kinetic reaction set to the fluid package.

The plug flow reactor requires a kinetic model in order to calculate the material
and energy requirements. This kinetic model is specified as a reaction set in the
fluid package. For this simulation, the following kinetic model describes the
reaction rate for the formation of cumene:
rCU = k cPY cBZ

E
k = A exp
RT
where
rCU
k
cPY
cBZ
A
E
R
T
is
is
is
is
is
is
the cumene formation rate in kgmol/m3 s.

the Arrhenius temperature dependency in kgmol/m3 s.
the molar concentration of proplyene (propene) in kgmol/m3.
the molar concentration of benzene in kgmol/m3.
is the reaction constant in kgmol/m3 s.
is the reaction activation energy in kJ/kgmol.
is
is
the gas constant in kJ/kgmol K.

the reaction temperature in K.
For a specific catalyst and the cumene reaction, A is 3500 kgmol/m3 s, and E is
56000 kJ/kgmol. A new reaction set must be created that contains this kinetic
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model. Proceed as follows to add this kinetic model to the current fluid package
of kinetic.hsc, which currently contains a conversion model:
1. Click on the Enter Basis Environment icon in
the button bar.
Click on the Reactions tab, if necessary.

window that contains tabbed views.
To view the Reactions page. This page is
where you can define an unlimited number of
reactions and collect combinations of these
reactions into reaction sets.
2. Select PY Conversion in the Reactions area

and then click the Copy Rxn button.
To open the Copy Reactions window and

create a kinetic reaction model, based of off
the PY Conversion model.
Click PY Conversion in the Copy Reactions

window and then click Kinetic in the New
Reaction Type area
To select it as the reaction model to be copied

and then choose kinetic as the new reaction
model.
Click the Copy Reaction button.

.
To open the Kinetic Reaction window. The

component and stoichiometic coefficients
have been automatically retrieved for you by
HYSYS from the PY Conversion model.
Enter PY Kinetic in the Name cell at the

bottom of the window.
To give the kinetic model for the cumene

reaction a unique identification.
Note that
3. Enter 1 in the Forward Order cell for propene.

Enter 1 in the Forward Order cell for benzene.
Enter 0 in the Forward Order cell for cumene.
To specify the exponents on the component

composition variables in the kinetic model.
The propene and benzene exponents on
concentration are one, while that of cumene is
zero.
Note that
The Reverse Order column is left empty

because the kinetic model for cumene
formation assumes an irreversible reaction.
Note that
The Forward Order and Reverse Order

columns allow you to define complex kinetic
models, ones whose exponents on
composition variables are other then 1.
Note that

meaning you must supply a kinetic basis.
4. Click on the Basis tab.
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The status area of the Kinetic Reaction

window currently is a red Not Ready,
meaning that you must supply more reaction
information.
To view the Basis page of the Kinetic

Reaction window.
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Click in the Basis cell and select Molar Concn
using the drop-down menu of .
Note that
Enter Propene in the Base Component cell,

using the drop-down menu of , if necessary.
Note that
Click in the Rxn Phase cell and select

VaporPhase using the drop-down menu of .
Note that
5. Click on the Parameters tab.
To specify molar concentration for the

composition variables in the kinetic model.
The Basis Units are kgmole/m3, and the Rate
Units are kgmole/m3 s for the kinetic model in
this tutorial. If these units where different,
you would use the two drop-down menus to
change them.
To specify propene as the base component in
the kinetic reaction model.
The base component is the limiting reactant in
a chemical reaction. Since stream S2 contains
213.6 kgmol/h of benzene and 110.5 kgmol/h
of propene, propene is the limiting reactant.
To specify that the reaction occurs in the
vapor phase only. Both the reactants and
product will be in the vapor phase.
meaning you must supply the kinetic
parameters, constants in the kinetic model.
To view the Parameters page of the Kinetic
Reaction window.
Enter 3500 in the A cell of the Forward

Reaction area.
To specify the reaction constant in the kinetic

model. Its units are those of the Rate Units on
the Basis page.
Enter 56000 in the E cell of the Forward

Reaction area.
To specify the activation energy in the kinetic

model. Its units are kJ/kgmole.
Note that
The Reverse Reaction area is left empty

because your kinetic model is for an
irreversible reaction.
Note that
The status area in the Kinetic Reaction

window is now a green Ready message.
You have just completed the specifications for
the kinetic reaction model.

To close the Kinetic Reaction window.

To close the Copy Reactions window and
return to the Reactions page of the Simulation
Basis Manager.
Note that
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The Reactions area in the middle of the

Reactions page lists PY Conversion as the
first reaction and PY Kinetic as the second
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reaction in the Reaction Manager.
Note that
All reactions in the Reactions area are placed

automatically into the Global Rxn Set by
HYSYS. This set is listed in the Reaction
Sets area at the right side of the Reactions
page. If you were to view this global set, you
would find the conversion reaction on the
Active List and the kinetic reaction on the
Inactive List. This means the Global Rxn Set
is configured for a conversion reaction model
only.
Note that
For different reactions to be carried out in

different process units of a process flow
diagram (PFD), new reaction sets need to be
created in the Reaction Sets area of the
Reaction Manager. Since you need only a
kinetic reaction for this tutorial simulation,
you will define a new reaction set for it.
To open the Reaction Set window and define
a new set that will contain the kinetic model.
6. Click the Add Set button in the Reaction

Sets area.
Enter Kinetic Rxn Set in the Name cell.
To give this reaction set a descriptive name.
Click in the first cell of the Active List column

and select PY Kinetic from the drop-down
menu of near the top right of the window.
To include the kinetic reaction model in this

reaction set.
To close the Reaction Set window and return

to the Reactions page of the Simulation Basis
Manager.
Note that
7. Click the Kinetic Rxn Set in the Reaction Sets

list, if necessary.
The Kinetic Rxn Set now appears as the

second set in the Reaction Sets list.
To select it so that you can connect it to a
fluid package.
Click the Add to FP button at the bottom of the

Reaction Sets area.
To associate the kinetic reaction set with the

current fluid package. The reaction set must
be added to the fluid package in order for the
reactions to be used in a process unit of a
flowsheet.
Click Basis-1 in the Add Kinetic Rxn Set

window, and then click the Add Set to Fluid
Package button.
To add the kinetic reaction set to the Basis-1

fluid package.
Note that
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Basis-1 now appears under the Associated

Fluid Packages of the Reaction Sets area.
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Tutorial 2.8

contains the PFD and workbook windows.
You have just completed the addition of a
kinetic reaction model to your fluid package.
F. Specify reactor parameters and outlet conditions.

You have added a plug flow reactor to your simulation and connected the feed,
from the HYSYS simulation of the heater E1 operation. You must now connect
the kinetic reaction set for cumene to the reactor, then provide size information
for the reactor, and finally specify the product stream temperature and pressure.
Once you have made these specifications, HYSYS will automatically calculate
the reactors pressure drop and heat duty. The calculations for reactor R1k
involve the numerical solution of a set of ordinary differential equations for the
material and energy balances. Proceed as follows:
1. Double-click on the R1k icon in the PFD.

Select the Reactions/Overall page.
To view the Reaction Info area of this page.

You must attach a reaction set to the plug
flow reactor R1k.
Click the cursor in the Reaction Set cell of the

Reaction Info area.
To get the vertical bar in that cell.
Select Kinetic Rxn Set from the drop-down

menu of to the right of this cell.
To connect the kinetic reaction set to reactor

R1k for the cumene reaction.
Select the Reactions/Details page.
To view the information in the Reaction

Details area of this page.
Click the View Reaction button in the

Reaction Details area.
To view the Kinetic Reaction window named

PY Kinetic.
Note that
To close the Kinetic Reaction window and

return to the Reactions/Details page.
Note that
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The status area of this window currently is a

green Ready, meaning that the kinetic
reaction set has been properly defined. If any
reaction information were incomplete, then
this status area would not be green.
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The red object status of Unknown

Dimensions near the bottom of this page
implies that you must supply reactor
dimensions before HYSYS can simulate R1k.
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To view the Tube Dimensions area for the
plug flow reactor.
2. Select the Rating/Sizing page.
To specify the tube dimensions of the reactor.

In this tutorial, the PFR is a single cylindrical
vessel with a length of 8 meters and a
diameter of 1.5 meters.
Enter 8 meters in the Length cell;

Enter 1.5 meters in the Diameter cell;
Enter 1 in the Number of Tubes cell.
Note that
Once you have specified these parameters,

HYSYS automatically calculates the Total
Volume and Void Volume. Do not change
the default values for Wall Thickness and
Void Fraction.
Note that

HYSYS can simulate reactor R1k.

page.

connected to reactor R1k.
Note that
Stream S2k is fully determined but material

stream S3k and energy stream QR1k are not.
Stream QR1k has one blue empty cell, while
stream S3k has nine. A blue empty cell
implies you can input a value in that cell,
except for the last four in stream S3k.
HYSYS can only enter values in these cells.
Of the first four blue empty cells, you must
supply values for any two before HYSYS will
do the calculations.
4. Enter 350 C in the Temperature cell of S3k.

Enter 3025 kPa in the Pressure cell of S3k.
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Note that
With these two variables specified, HYSYS

begins to solve numerically the ordinary
differential equations for the material and
energy balances, which may take some time to
complete. Once the solution is completed, the
object status area turns green, which indicates
that HYSYS did the calculation successfully.
Note that
The remaining cells of streams QR1k and

S3k are now filled with black, calculated
values.
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the calculated reactor duty is 1.088e+7 kJ/h.

page.
Note that

pressure. You can also adjust the dimension
variables for the plug flow reactor.
operation R1k. The reactor and stream icons
in the PFD are now dark colors, indicating the
are determined.
Note that
You have just completed the simulation for

the plug flow reactor. You will now compare
its conversion for propene to the 83% used in
the conversion reactor of Tutorial 2.6 and to
the 94.1% predicted by minimizing the Gibbs
free energy in Tutorial 2.7. But first, you will
re-format the Workbook to facilitate this
comparison.
Choose Workbook/Setup from the menu

bar.


window.
----------------------------------------Click Comp Molar Flow in Variable area,

To add all the component molar flows to the

Streams page of the workbook.
Click the Close button in the Setup window.

all stream component molar flow rates appear
in the workbook.
----------------------------------------To open the Organize Workbook Objects

window and change the organization of the
Choose Workbook/Order/Hide Objects

from the menu bar.
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workbook.
Click button Ascending near the right side of
the Organize Workbook window.
To re-organize the material and energy

streams in ascending order based on their
names.
Use the Down arrow in the Move Selection

area.
To move item S4 in the list down to the end of

that list.
To return to the Workbook window.
----------------------------------------Drag the lower right corner of the Workbook

window either right, left, or down.
To have streams S2, S3, S2k, and S3k appear

contiguously across the Workbook window.
Note that
You are now ready to compare the conversion

reactor (streams S2 and S3) to the plug flow
reactor (streams S2k and S3k).
The propane conversion is (110.5 18.8) /110.5,
giving a value of 83%. These observations
confirm our expectations.
8. Compare feed stream S2 to product stream S3

for the conversion reactor.
Compare feed stream S2k to product stream S3k

for the plug flow reactor.
Why does the plug flow reactor give a much

higher conversion, one greater than the Gibbs
theoretical limit of 94.1%?
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The propane conversion is (110.5 1.8) /110.5,
giving a value of 98%. These observations
are similar to those for the conversion reactor,
except the propene conversion is higher for
the plug flow reactor.
The mathematical model for the HYSYS plug
flow reactor does not incorporate a limit
check on the propene conversion. If you
made the tube length long enough, you could
get the plug flow reactor to predict a 100%
conversion.
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Therefore, any tube length beyond that length
which gives 94.1% propene conversion is
wasted and costly reactor space. No addition
conversion will occur in this reactor space.
9. As an experiment, change the tube length in the
plug flow reactor until you get a propene
conversion of about 94 mole percent.
You should get a tube length of about 5.7

meters. As you learned from Tutorial 2.7, this
94% is the equilibrium limit for the reaction.
It is the best conversion you could expect for
the reaction of propene and benzene to form
cumene.

Proceed as follows:
or

not save it.

or

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Tutorial 2.9
PFD Manipulation Tools
The focus of this tutorial is the HYSYS Process Flow Diagram (PFD). You can use the
PFD to satisfy a number of functions while doing a process simulation. In addition to a graphical
representation, you can build a flowsheet within the PFD using the mouse to install and connect
objects. A full set of manipulation tools is associated with the PFD to allow you to reposition
process streams and operations, resize icons, reroute streams, and create documentation text. All
of these tools are designed to simplify your development of a clear and concise graphical process
representation. You can use these tools to prepare your documentation for your solutions to the
assignments in Chapters 3 and 4.
In this tutorial, you will learn how to use effectively some of the PFD manipulation tools.
You will begin with the existing file named pfdtools.hsc located on the network file server. The
pre-defined simulation in this file is set for the Peng-Robinson-Stryjeck-Vera (PRSV) fluid
package with four chemical components (benzene, propylene, propane, and cumene) and a heater process
unit, named E1, and a conversion reactor unit, named R1. The reactor converts propylene and
benzene to cumene with propane acting as an inert compound.
This tutorial is divided into ten sectionsstart the HYSYS program, open an existing
simulation file, zoom flowsheet in and out, orient some PFD icons, move some icon labels, view
some operating conditions, add some documentation text, connect and disconnect PFD objects,
copy a PFD to a Word document, and close the simulation case. To proceed, you must be
familiar with the material in Tutorials 2.4 and 2.6.



bar.


Variables view.

if necessary.
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for you to access. It is called pfdtools.hsc. This file is the basis for this tutorial
that demonstrates how you can manipulate the process flow diagram. Proceed as
follows to open pfdtools.hsc and save a copy of it:
or


Manual/Chap 2.
To find the HYSYS simulation file

pfdtools.hsc on the network file server in the
HYSYS Manual folder.
3. Double-click on the file named pfdtools.hsc,

or

desktop.


or

Note that

To save your pfdtools.hsc simulation file.
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C. Zoom flowsheet in and out.
The existing HYSYS file pfdtools.hsc shows the flowsheet as a small section in
the PFD window. The zoom functions allow you to enlarge or shrink the
flowsheet in order to fit the PFD window. This section explains the different
methods for zooming in and out on the process flowsheet.
1. Click the zoom in icon of + in the bottom left
corner of the PFD.
To zoom in on the flowsheet. This will

enlarge the streams and unit operation icons.
Click the zoom in icon a few more times.
To make the flowsheet fill more of the PFD

window.
2. Click the zoom out icon of - in the bottom left

corner of the PFD.
To zoom out in the flowsheet. This will

shrink the streams and unit operation icons.
Click the zoom out icon a few more times.
To make the flowsheet smaller in the PFD

window.
3. Place the cross hairs of the cursor over the

letter C in reactor R1 and hit the period key on
the keyboard.
To center the reactor R1 in the middle of the

PFD window. This action is useful when you
want to focus on a specific part of a
flowsheet.


window.
Note that
Any time the Zoom All icon is used, HYSYS

will move and enlarge or shrink the flowsheet
to exactly fill the PFD window.
4. Click the drag zoom icon in the button bar at

the top of the PFD window.
To enter the zoom mode. The cursor will now

appear with a magnifying glass icon.
Note that
You can use this cursor to click and drag a

box around a part of the flowsheet. Once you
release the mouse button, HYSYS will then
zoom in on the icons in the box.
Click and drag in the PFD to create a box that

surrounds the icons for streams S2, S3, QR1
and reactor R1, and then release the mouse
button.
Note that
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To choose the reactor and its attached streams.

HYSYS will automatically zoom in on the
area included in the box you have just
outlined.
To place again the entire flowsheet in the
PFD window.
In the PFD, the material stream S2 is pointing
in an awkward direction and the label for the
energy stream QE1 is also in an awkward
position. You will now use some interactive
tools to manipulate icons on the PFD.
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D. Orient some PFD icons.
HYSYS adds stream and unit operation icons to the PFD in a certain
orientationfacing left, right, up or down. Usually the default orientation
creates a flowsheet with streams flowing from left to right in a more or less
straight line. The user may want to change the icon orientations. This section
shows you how to change the icon orientation of stream S2 using the transform
function and how to move a collection of icons on the PFD.
1. Object inspect stream S2 in the PFD flowsheet;
i.e., position cursor on an object and press the secondary
(usually right) mouse button once.
Note that
2. Select Transform/Rotate by 180 in the dropdown menu for object S2.

Note that
To view the drop-down menu of options

associated with object manipulation.
The stream S2 icon faces to the left in the
PFD. You will reverse its orientation.
To flip the icon for stream S2 horizontally.
Stream S2 now flows from left to right.
Streams S1 and S2 do not fall on the same
horizontal line. You will use the horizontal
cross hair of the cursor to move stream S2 so
that it is in line with stream S1.
To get a portion of the horizontal cross hair to
turn white. This action insures that you are on
the centerline of the stream S2 icon.
3. Place the cursor on the stream S2 icon and

have its horizontal cross hair cover the blue
stream line.
Click and drag the stream S2 icon down so that
the horizontal cross hair covers the blue stream
line of stream S1.
To position stream S2 in line horizontally

with stream S1.
Note that
Stream S1, heater E1, and stream S2 all line

up; however, they are not in line with reactor
R1. You will collectively move these three
objects next.
4. Click and drag in the PFD to create a box that

surrounds the icons for S1, E1, QE1 and S2,
and then release the mouse button.
To select these four icons as a collective

group. Selection of an icon is indicated by a
white rectangle.
Note that
An alternative way to select multiple icons as

a collection is to click on the first icon and
then hold down the <Shift> key as you
continue selecting the remaining icons.
Place the cursor on the heater E1 icon and have

its horizontal cross hair cover the blue stream
lines.
To insure that you are on the centerline of the

three objectsstream S1, heater E1, and
stream S2.
Click and drag the collection of icons down so

that the horizontal cross hair covers the blue
To position the collection of four iconsS1,

E1, QE1, and S2relative to reactor R1.
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stream line for S2 entering the reactor R1.
5. Move the energy stream QE1 icon above the
blue line of stream S2.
Note that
To line it up with the dark maroon arrow that

enters process unit E1. You do this move
based on what you learned in Steps 3 and 4.
The flowsheet in the PFD window has the
appearance of a clear and concise graphical
presentation, except for labels QE1 and R1.
You have this burning desire to move label
QE1 above the energy stream icon and to
place label R1 inside of the reactor icon.
E. Move some icon labels.

HYSYS labels each icon in the PFD with either a default name or the name
specified by the user. The labels are placed by default next to or under the icon.
This section shows you how to move some icon labels.
1. Object inspect energy stream QE1 and select
Move/Size Label from the drop-down menu.
To select label QE1 so that you can move it.

A white rectangle verifies that the label has
been selected.
2. Click and drag the QE1 label, move it above

the energy stream icon, and release the mouse
button.
To place the QE1 label so that it appears on

top on the energy stream icon and, therefore,
is not mistaken to be with material stream S2.
Click the left mouse button in an empty area of

the PFD window.
To remove the white box around the QE1

label.
3. Object inspect reactor icon R1 and select

Move/Size Label from the drop-down menu.
To select label R1 so that you can move it. A

white rectangle verifies that the label has been
selected.
4. Click and drag the R1 label, move it below the

word C in the reactor icon, and release the
mouse button.
To place the R1 label so that it appears as

being part of the reactor icon. This label is
still selected because it is surround by a white
rectangle.
Note that
5. Object inspect the white rectangle of label R1,
select Changes Colours from the dropdown menu.
Click the red box in the Basic Colors area and
click the OK button.
6. Object inspect the white rectangle of label R1,
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The label R1 is white and that is not your

favorite color. You will now change its color
and font style.
To open the Color window containing basic
and custom colors in little square boxes.
To change the text color of label R1 from
black to red.
To open the Font window, which contains
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select Changes Font from the drop-down
menu.
areas for font type, style, and size.
Click bold in the Font Styles area and click the

OK button.
To change the text of label R1 to a bold style.
Click the appropriate arrow keys (, , , )

on the keyboard.
To reposition the label R1, because you do not

like where it is currently positioned. You
want to get it center horizontally.
Click the left mouse button in an empty area of

the PFD window.
To remove the white box around the R1 label.
7. Click the Save Case icon in the HYSYS button

bar.
To save all of the changes you have made to

the PFD, so far, as a simulation case file in
one of your personal folders.
F. View some operating conditions.

In HYSYS, you can inspect the operating conditions of streams and process units
by double clicking on their icons in the PFD to open their property windows.
However, you may want to see some selected operating conditions and quickly
compare them to others but within the PFD window. Hot keys, fly-by
information, and PFD tables are the tools that allow you to observe operating
conditions.
1. Press keys <Shift><T> on the keyboard;
Press keys <Shift><P> on the keyboard;
Press keys <Shift><F> on the keyboard.
To observe the Temperatures, Pressures, and

total Flow rates of all material streams in the
flowsheet.
Note that
These hot keys give you a quick overview of

the distribution of temperature, pressure, or
flow in a flowsheet. The * in front of a value
indicates that it is a specified variable, one
you supplied a number for.
Press keys <Shift><N> on the keyboard.
To display the material stream Names again.
2. Place the cursor on stream S2 for a moment;

Place the cursor on reactor R1 for a moment.
To observe the fly-by information displayed

in a small white box for each object.
Note that
The hot keys and fly-byes provide you with

specific information about some operating
conditions. How can you get a table of
information displayed in the PFD window,
like the material stream info that appears in
the workbook?

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To expand the PFD window to fit the full area

of the HYSYS desktop.
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Object inspect an open area of the PFD and
select Add Workbook Table from the dropdown menu.
To open the Select Workbook Page window.

Stream pages that appear in the Workbook
are displayed in a list.
Click on Streams in the list, if necessary, and

then click the Select button.
To have a stream table placed in the PFD

window.
Note that
This table is the same as what appears in the

Streams page of the Workbook. Whenever
you make changes in the content or format of
the Streams page in the Workbook, they will
automatically be reflected in this PFD table.

To position the entire flowsheet and the

stream table in the PFD window.
Click and drag the stream table so that it is

centered under the flowsheet in the PFD.
To give it a professional appearance for

documentation purposes.

To position again the entire flowsheet and the

Note that
You may sometimes what to print the PFD

window but only with the flowsheet and not
the stream table. Before you do the print, you
can hide the stream table by object inspecting
it and selecting the Hide option. You can
always retrieve hidden objects by object
inspecting the PFD and selecting the Reveal
Hidden Objects option.
Note that
You could print the PFD now, but it needs a

title, the assignment, your name, and the date.
In other words, you need to document your
work.
G. Add some documentation text.

The add text function allows you to place text such as titles and dates in the PFD.
This section will show you how to add a title to the PFD and size the title to fit
on one line. You will also add a second line for the assignment, your name, and
the date.
1. Place the cursor on the arrow at the top of the
PFD vertical scroll bar and scroll the flowsheet
and stream table down about 2 inches.
Click the Add Text icon in the PFD button bar.
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To make room for some textual information

which will appear above the flowsheet.
To enter the Add Text mode. The cursor will
now appear with a white box.
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2. Click the cursor anywhere above the flowsheet.
Type Cumene Production from Propylene
and Benzene and click the OK button.
Do not use the <Enter> key while typing.
Note that
To open the Text Props View window.

To create a text box on the PFD with a title
for the flowsheet.
The text is surround by a white rectangle and
each word of the title appears to be on a new
line. However, the text box needs to be
elongated to produce a one-line title.
To enter the size mode, which allows you to
resize any object in the PFD that is selected.
Click the Size Mode icon in the PFD button

bar.
Note that
Place the cursor on the right, white square of

the selected text; wait for the cursor to change
to symbol , then drag the white square to the
right until the text appears as one line.
The white rectangle around the text has two

small, white squares on the right and left
sides. These are the resize indicators. If the
text is not selected, just click on it to select it.
To elongate the text into a one-line title.
Note that
If you have made a spelling error in the title,

then object inspect the title and select View
Properties from the drop-down menu, in
order to correct your error.
Note that
To give this title more prominence, you what

to increase the text font size and change its
color.
3. Object inspect the text box and select Change

Font from the drop-down menu.
To open the Font window.

To increase the prominence of the title.
Increase the text size to 20 and click OK.

Elongate the text to a one-line title again.
Object inspect the text box and select Change
Colour from the drop-down menu.
To open the Color window.
Select a red color and click the OK button.
To change the text color of the title.
Click and drag the text box.
To center the title over the flowsheet. Use the

Zoom All button to help you with this task.
Note that
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You are to leave enough room between the

title and the flowsheet, so that you can add
another but smaller line of text.
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4. Click Add Text icon in the PFD button bar;
Click the cursor anywhere below the title.
To enter the Add Text mode and open the

Text Props View window.
Type Tutorial 2.9, your name, date and

click the OK button.
To create a text box between the title and the

flowsheet containing the assignment, your
name, and the date.
Click and drag the right side of the text box.
To elongate it into one line of text.
Click and drag the text box.
To center it under the title.

To position the title, the flowsheet and the

Choose File/Printer Setup/Graphic

Printer from the menu bar
To select your printer destination for

graphical output.
Object inspect an open area of the PFD and

select Print PFD from the drop-down menu.
To send the contents of the PFD to your

selected printer.
Note that
6. Click the Save Case icon in the HYSYS button

bar.
You have just documented and printed this

tutorial assignment. You should document all
work that you do in HYSYS. Always supply,
at least, a title, assignment number, name, and
date.
To save all of the changes you have made to
the PFD, so far, as a simulation case file in
one of your personal folders.
H. Connect and disconnect PFD objects.

Process streams and process units can be connected and disconnected, either
through object property windows or with interactive tools available on the PFD.
While using the interactive tools and also specifying additional information, you
may inadvertently cause a consistency error. HYSYS issues these kinds of
errors when a process unit simulation is over-specified; that is too much
information is known for the process unit calculation, and HYSYS can not
resolve the inconsistency. You must do that by specifying only the correct
amount of information.
In the PFD of file pfdtools.hsc, the flowsheet simulation for the heater E1 and
reactor R1 is represented mathematically as follows:
S 2 , PE 1 , Q E1 = heater S1 , TS 2 , PS 2
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where heater or reactor is a function whose variables on the left are calculated by
HYSYS once those variables on the right are known. The vector i is a short
notation to represent the temperature, pressure, flow rate, and chemical
composition of stream i; that is, the process state variables for that stream.
Since the process state of stream S1 and the temperature and pressure of stream
S2 are known, the heater calculation is done first by HYSYS, in order to
determine the remaining conditions of stream S2. The reactor calculation is done
second by HYSYS, because the temperature and pressure of stream S3 are known
and the conditions of stream S2 were determined by the heater simulation. This
calculation order of heater followed by reactor is called forward propagation
because it follows the material flow of the streams. Another way of looking at
the forward propagation is that the outlet streams of a process unit are
calculated once its inlet streams and equipment parameters are known.
This section shows you how to disconnect heater E1 from outlet stream S2 and
then reconnect them. You will also create and fix a consistency error associated
with process unit E1. Proceed as follows:
1. Click the drag zoom icon in the button bar at
the top of the PFD window.
Click and drag a box that surrounds just the
flowsheet, and then release the mouse button.
To choose the heater and reactor and their

attached streams. HYSYS will automatically
zoom in on the area included in the box you
have just outlined.
To enter the break connection mode. The
cursor will now appear with an X icon.
2. Click the Break Connection button in the

PFD button bar.
To break the connection of the outlet stream

on heater E1.
Click the blue line between heater E1 and

stream S2.
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To enter the zoom mode. The cursor will now

appear with a magnifying glass icon.
Note that
Stream S2 remains connected to the reactor;

however, it is light blue indicating that it is no
longer fully specified. Stream S3 is also light
blue because not enough conditions are
specified to do the reactor calculations. When
stream S2 was originally connected to heater
E1, the HYSYS simulation of heater E1 had
calculated the unknown conditions of stream
S2 and thus made them known information to
the reactor unit.
Note that
A conversion reactor in a HYSYS simulation

may produce a vapor outlet stream (S3), liquid
outlet stream (S4), or both. In this simulation,
the reaction is in the vapor phase only;
however, HYSYS requires that a liquid
product stream be defined. We will ignore
stream S4 in our discussion, since its flow rate
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is zero.
Note that
You will now change the propagation order in

the flowsheet by specify the process state of
stream S2. Starting with stream S2, HYSYS
will do a forward calculation on reactor R1
first, and then it will try to do a backward
calculation on heater E1. This propagation
order is represented mathematically as
follows:
S 1 , PE 1 , Q E 1 = heater 2 S 2 , TS 1 , PS1
where reactor or heater2 is a function whose
variables on the left are calculated by HYSYS
once those variables on the right are specified.
The vector i is a short notation to represent
the temperature, pressure, flow rate, and
chemical composition of stream i.
The reactor function above depicts a forward
calculation order, while the heater2 function
represents a backward calculation order (i.e.,
knowing an outlet stream calculate the inlet stream
conditions).
HYSYS does a process unit calculation as

soon as enough information is known, and
then it propagates the simulation both forward
and backwards until either it can not
propagate further (because not enough information is
known) or a consistency error occurs.
3. Double click the stream S2 icon in the PFD.
To open the property window for stream S2.

Only the temperature and pressure of S2 are
specified, as indicated by the blue values.
Double-click on the Molar Flow cell of stream

S2.

window.
Click Mole Flows in the Composition Basis

area.
To select the composition basis as component

molar flow rates.
Enter 200 in CompMoleFlow cell for benzene.

Enter 150 in CompMoleFlow cell for propene.
Enter 5 in CompMoleFlow cell for propane
Enter 0 in CompMoleFlow cell for cumene.
To specify the kgmoles/hour for benzene.

To specify the kgmoles/hour for proplyene.
To specify the kgmoles/hour for propane.
To specify the kgmoles/hour for cumene.
Click the OK button in the Input Composition

for Stream window. (If its not visible, scroll to find
it.)
To return you to the Worksheet/Conditions

page of the stream property window. The
remaining cells of stream S2 have values and
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its object status is green.
To close the stream property window.

Note that
4. Position the cursor over the green light and red

light in the HYSYS button bar.
In the PFD, streams S2 and S3 are dark blue

indicating that HYSYS has successfully done
the forward calculations on reactor R1.
To view the popup of Solver Active for the
green light and Solver Holding for the red
light. The background colors of these two
buttons indicate the state of the calculation
solver for HYSYS.
Note that
Currently, the background color of white for

the green light and gray for the red light
means the solver is active; that is, the green
light is on and the red light is off. Thus,
whenever you change any blue value, the
calculations are done automatically.
Note that
When the green light has a gray background

and the red light has a white background, the
solver is in the holding state; that is, the red
light is on and the green light is off. Thus,
whenever you change any blue values, the
calculations are not done at all, until you
click the green light to turn it on.
Whenever HYSYS is doing the calculations
and detects some error, it automatically stops
the calculations, turns the red light on and the
green light off, and issues an error message.
When an error event happens, you must
diagnosis it, make the necessary corrections,
and turn the green light on to restart the
calculations.
5. Hold the Ctrl key down on the keyboard and

then proceed with the next action.
Note that
Place the cursor on the stream S2 icon. Click

and drag the blue box that appears on the left
of the stream icon to the blue box that appears
at the outlet of heater E1.
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To enter temporarily the PFD attach mode

and get an arrow cursor without cross hairs.
The attach mode allows you to connect unit
operations and streams, interactively. If you
want the attach mode to be on for an extended
period of time, then click the Attach Mode
icon in the button bar at the top of the PFD
window, instead of using the Ctrl key.
To attach stream S2 to heater E1. Stream S2
now becomes the outlet stream of heater E1.
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Note that
A Consistency Error window appears and

the calculations have been stopped, as noted
by the red STOP icon on the button bar.
Once you fix the consistency error, you will
click the green GO icon to continue the
calculations.
Note that
The Consistency Error window states that a

new value for a component mole fraction of
stream S1 was calculated by heater E1, but a
specified, blue value already existed for that
mole fraction. You must figure out what
caused this inconsistency and correct it.
Note that
The last thing you specified in the PFD was

stream S2. HYSYS always starts with the
latest change you make and propagates the
calculations from that point in the PFD. You
observed that HYSYS did the calculations on
reactor R1 immediately after you specified
stream S2 because enough information was
known. HYSYS then stop its forward
propagation because a process unit was not
connected to stream S3.
Note that
When you connected stream S2 to heater E1,

HYSYS assumed you wanted a backward
propagation done on heater E1, because you
last changed stream S2. Mathematically,
HYSYS tried to do the following calculation:
S 1 , PE 1 , Q E 1 = heater 2 S 2 , TS 1 , PS 1
After HYSYS completed this backward

calculation for the conditions of stream S1, it
observed that some conditions of this stream
had previously been specified with blue
values. This detection by HYSYS caused the
consistency error.
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Note that
Before you disconnected stream S2, HYSYS

did a forward calculation on heater E1,
because the process state of stream S1 was
specified. After you disconnected stream S2,
specified its process state, and reconnected it,
HYSYS tried to do a backward calculation on
heater E1. The resulting consistency error
indicates that the simulation on heater E1 is
over-specified. Too much information is
known.
Note that
At this point, you have two choices to correct

the consistency error. You can de-specify the
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total and component flow rates of either
stream S2 or S1. You decision is based on
whether you want to do a backward or
forward calculation on heater E1. For this
tutorial, you want to do a backward
calculation; that is, calculate the total flow
rate and composition of stream S1.
6. Click the Close button in the Consistency
Error window.
To close the Consistency Error window so

you can fix the error.
If you used the Ctrl key to attach stream S2 to
heater E1.
Proceed to Step 7.
Note that
However, if you used the Attach Mode icon in

the button bar at the top of the PFD window
to make the connection, then click the Attach
Mode icon to exit the PFD attach mode and
then get an arrow cursor with cross hairs
You must exit the attach mode before you can
change any process variables in the PFD.
To open the property window of heater E1.
7. Double click on heater E1 icon in the PFD.

Note that
The object status of heater E1 is a yellow

Unknown Duty, which implies that the
calculation for this stream could not be done
because of the consistency error.
Click the Worksheet/Conditions page, if

necessary.
To view the conditions of stream S1.
Click in the Molar Flow cell of stream S1 and

then hit the <Delete> key.
To delete the specified molar flow rate of

stream S1 and replace it with a blue <empty>.
Double-click on the Molar Flow cell of stream

S1.

window.
Click the Erase button in the Composition

Controls area and then click the OK button.
To erase the specified mole fractions of

stream S1 and replace them with four blue
<empty>s.
To close the property window of heater E1

and return to the PFD window.
Note that
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In the PFD, stream S2 is fully specified

because its material stream is dark blue.
Stream S1 is only partially known because its
material stream is light blue. Since the
temperature and pressure of stream S1 are
known, HYSYS should have done a backward
calculation on heater E1. However, HYSYS
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Tutorial 2.9
is currently in the hold state, as implied by
the red STOP icon on the button bar.
8. Click the Solver Active icon on the button bar;
that is, the green GO icon.
To continue the simulation calculations on

heater E1 based on a backward propagation.
Note that
You have resolved the consistency error, and

HYSYS has successfully done the simulation
calculations, because all material streams are
dark blue and all energy streams are dark
maroon in the flowsheet of the PFD.
Note that
HYSYS always activates the red STOP icon

on the button bar whenever a consistency
error occurs. After you have fixed a
consistency error, you must remember to
click the green GO icon, in order to have
HYSYS continue the simulation calculations.
I. Copy a PFD to a Word document.

After you complete your work on a HYSYS assignment, you may want to paste
either part of the PFD or the whole PFD into a page of a Word document that you
are preparing for your formal solution to an assignment. Proceed as follows to
capture the current PFD, paste it as a picture into a Word document, and then
manipulate this picture to see only the flowsheet figure:
To bring the PFD to the top of the desktop, in
order to prepare it for capture to the clipboard.
1. Click the PFD icon on the button bar, if

necessary.

window.
Click the cursor in an empty area, then

Move the mouse out of the PFD window.
To de-activate any thing that is selected, and

to remove the cross hairs from the PFD.
Press the Print Screen (or PrtScrn) key in the

upper-right portion of the keyboard.
To capture the complete contents of the

monitor screen as a picture image in the
computer's clipboard.
Note that
2. Choose Start/Word 2003 from the Windows

desktop.
Close the Getting Started box on the far right,
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These above tasks complete what you have to

do in the HYSYS program. You will now
copy the captured picture image and
manipulate it using the Microsoft Word
program.
To start the Microsoft Word program, which
will open with a new document.
To display fully the word document window.
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Tutorial 2.9
if it is visible.
Click the Show/Hide icon on the button bar.
To show the paragraph marks.
Press the Enter key on the keyboard twice.
To add two more lines to the new document.
Place the cursor in the second line.
To identify the insertion point for the picture.
Select Edit/Paste from the Word menu bar.
To insert the picture from the clipboard into

the Word document.
Object inspect the pasted picture and then

select Show Picture Toolbar from the dropdown menu.
To get the popup Picture Toolbar of buttons.
Select the Crop button in the Picture Toolbar.
To get a cursor that looks like the Crop

button icon.
Place the Crop cursor over the little black

square in the middle of the left edge of the
picture. Click and drag this edge to the left
edge of the flowsheet.
To remove the left portion of the picture up to

the left edge of the flowsheet.

square in the middle of the right edge of the
picture. Click and drag this edge to the right
To remove the right portion of the picture up

to the right edge of the flowsheet.

square in the middle of the top edge of the
picture. Click and drag this edge to the top
To remove the top portion of the picture up to

the top edge of the flowsheet.

square in the middle of the bottom edge of the
picture. Click and drag this edge to the bottom
To remove the bottom portion of the picture

up to the bottom edge of the flowsheet.
Click the Set Transparent Color button in the

Picture Toolbar bar and then click its cursor
in the lower left area of the cropped picture.
To turn the background color in the picture to

white.
Close the Picture Toolbar.
To remove it from the document window.

.
To select the flowsheet picture and center it
within the line of the Word document.
3. Click the cursor inside of the cropped picture,

and click the Center icon on Word button bar.
Object inspect the flowsheet picture and then
select Borders and Shading from the dropdown menu.
To get the Borders window.
Select Box and 1-pt width, and click the OK

button.
To place a border around the flowsheet

picture.
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Object inspect the flowsheet picture again and
select Format Picture from the drop-down
menu.
To get the Format Picture window.
Select the Size tab, change the Scale Height

and Width to 100%, and click the OK button.
To enlarge the flowsheet picture.
Click the cursor somewhere outside the picture.
To deactivated the flowsheet picture.
Note that
You can now place a centered figure title on

the next line right under the flowsheet picture.
To exit the Microsoft Word program and not
save the Word document.
4. Choose File/Exit from the menu bar,

J. Close the simulation case.

Proceed as follows:
or

not save it.

or

plan to do another process simulation case.
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Overview
This chapter provides five problem assignments to help you develop your abilities and
confidence to simulate individual process units using the HYSYS process simulation software.
Over a five-week period, you will have weekly assignments that focus on finding the material and
energy balance requirements for the following individual process units:
Problem
HY.1
HY.2
HY.3
HY.4
HY.5
Description
Process Stream Simulation
Pump Simulation
Cooler Simulation
Mixer/Tee Simulation
Reactor Simulation
Each weekly problem will be assigned in a separate memorandum. Once youve completed
these assignments, you will have a mathematical understanding of how HYSYS does its
calculations for each process unit.
This chapter assumes you have completed certain tutorials found in Chapter 2.
They are Tutorials 2.1 to 2.6 and 2.9. Each assignment in this chapter identifies those
tutorials that you should complete before you try to solve the problem.
While solving a problem, you will need to consult Appendices B, C, etc. in this
handbook for information on certain HYSYS simulation modules. Each appendix or module
provides a mathematical explanation of how HYSYS does its calculations for that process unit. A
module includes a description, a conceptual model, a mathematical model, variable descriptions,
example mathematical algorithms, and several HYSYS simulation algorithms. Each assignment
identifies which appendix you must consult.
Microsoft Word files of the five assignments in this chapter are available on the
departments network file server (R:) in folder chem_engineering/public/HYSYS
Manual/Chap 3. Your instructor will give you directions on how to access this folder.
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Problem HY.1
Process Stream Simulation
The HYSYS simulation module for a process stream is fully defined in Appendix C of
this handbook. This process stream module contains a process description, process diagram,
assumptions, mathematical model, variable descriptions, mathematical algorithms, and some
HYSYS simulation algorithms in functional form. After you read this information about a
process stream, you are to practice the HYSYS session below and then do the simulation
exercise. For your solution of Problem HY.1, you are to provide a printed copy of the HYSYS
flowsheet and the worksheet datasheet for the process stream in the simulation exercise only.
Furthermore, you are to provide answers to the questions in the simulation exercise.
HYSYS Session
This session will show you, in general terms, how to do a HYSYS simulation for a
process stream. It assumes you are familiar with the material in Tutorials 2.1 to 2.5 of this
handbook. You are to find the vapor fraction and heat flow in BTU/hr of a binary mixture of
toluene and hexane at 1 atm and 100C. This mixture is flowing at 100 kgmol/h. The stream is
labeled feed and its conceptual diagram is:
TF = 100 C
TF = 100 C
PF =
1 atm
n& F = 100 kgmol / h
PF =
1 atm
n& F = 100 kgmol / h
feed
z F ,TL = 0.7
z F ,TL = 0.7
z F , HX = 0.3
z F , HX = 0.3
Using the information from above, you are to practice a HYSYS simulation by doing the
following general tasks:
Create a new HYSYS file. Name it xxx_HY1, where xxx are your initials.
Choose a property package. Select the SRK property package, which is an
equation of state.
Specify the two chemical components.
Create a process stream and name it feed.
Specify the state of this process stream; that is, its temperature, pressure,
flow rate, and composition.
Change the HYSYS preferences to display your desired property units.
Observe the HYSYS calculated results, which appear in black. Note that
values you supplied appear in blue.
After you specify the state of the process stream, HYSYS immediately calculates all of the other
properties of that streams (such as mass flow rate, volumetric flow rate, vapor fraction, etc.) using the SoaveRedlich-Kwong (SRK) equation of state. The answers for two of the stream properties are:
Vapor Fraction = 0.783
= -1.230E6 BTU/h
Heat Flow
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Problem HY.1
A value for the vapor fraction between zero and one indicates that the process stream exists as a
two-phase system (vapor and liquid) at the specified temperature, pressure, and composition.
Simulation Exercise
What are the temperature in F and the heat flow in BTU/hr of a process stream
containing a tertiary mixture of benzene, hexane, and toluene? The stream is at 2 atm and has a
vapor fraction equal to zero. The chemical component flows are as shown below.
Vf = 0.0
Vf = 0.0
TF =
TF =
PF =
n& F =
2 atm
PF =
n& F =
2 atm
feed
n& F , BZ = 40 kgmol / h
n& F , BZ = 40 kgmol / h
n& F , HX = 70 kgmol / h
n& F , HX = 70 kgmol / h
n& F ,TL = 120 kgmol / h
n& F ,TL = 120 kgmol / h
While you are completing your HYSYS simulation on the above process stream problem, please
answer the following questions:
1. Which HYSYS simulation algorithm in Appendix C of the Process Stream
Module would you use to solve the above problem? What temperature does this
algorithm calculate?
2. Which assumption(s) support the fact that a process stream has uniform
properties throughout its length?
3. What steps from the Mathematical Algorithm A would you use to calculate the
mass fractions from the mole fractions? Verify that HYSYS has done this
calculation correctly?
4. Calculate the enthalpy of the stream in BTU/lb using the appropriate
mathematical model equation(s).
5. What are the definitions of the dew-point temperature and bubble-point
temperature?
6. How might you find the dew-point temperature of this stream? What is this
value?
For the above process stream problem, please print its HYSYS flowsheet and its worksheet
datasheet.
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Problem HY.2
Pump Simulation
The HYSYS simulation module for a pump operation is fully defined in Appendix E of
this handbook. This pump module contains a process description, process diagram, assumptions,
mathematical model, variable descriptions, mathematical algorithms, and some HYSYS
simulation algorithms in functional form. After you read this information about a pump
operation, you are to practice the HYSYS session below and then do the simulation exercise. For
your solution of Problem HY.2, you are to provide a printed copy of the HYSYS flowsheet and
the design and worksheet datasheets for the pump operation in the simulation exercise only.
Furthermore, you are to provide answers to the questions in the simulation exercise.
HYSYS Session
This session will show you how to do a HYSYS simulation for the pump operation. It
assumes you are familiar with the material in Tutorials 2.1 to 2.5 of this handbook. You are to
find the power in watts to compress an equimolar mixture of n-hexane and n-octane at 25C from
1 atm to 4 atm. This liquid mixture is flowing at 100 lb-moles per hour. The pump is labeled P200, and its adiabatic efficiency is 70 percent. The conceptual diagram is:
TE = ?
TI = 25 C
PI = 1 atm
n I = 100 lbmol / h
z I , HX = 0.5
z I ,OC = 0.5
W A = ?
Inlet
Exit
P-200
= 70%
PE = 4 atm
n E = ?
z E , HX = ?
z E ,OC = ?
Choose a property package. Select the SRK property package, which is an
equation of state.
Create a pump and name it P-200.
Create the pump inlet, outlet, and energy streams. Name them Inlet, Exit,
and Wa, respectively.
Supply the adiabatic efficiency of 70%.
Specify the state of the inlet stream; that is, its temperature, pressure, flow
rate, and composition.
Specify the exit pressure.
After you specify the state of the inlet stream, the exit pressure, and the pump efficiency, HYSYS
immediately calculates all of the other properties of the two streams (such as mass flow rate, volumetric
flow rate, vapor fraction, heat flow, etc.) using the Soave-Redlich-Kwong (SRK) equation of state.
Also, HYSYS calculates the pump power to be:
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Problem HY.2
Power = 0.81 watts
A positive value for the pump power indicates that energy must be added to the process stream to
increase its pressure.
Simulation Exercise
What adiabatic efficiency and power in kilowatts are required to compress an equimolar
mixture of n-hexane and n-octane from 25C and 1 atm to 40C and 400 atm? This liquid
mixture is flowing at 100 lb-moles per hour.
TE = 40 C
TI = 25 C
PI = 1 atm
n I = 100 lbmol / h
z I , HX = 0.5
z I ,OC = 0.5
W A = ?
Inlet
Exit
pump
=?
PE = 400 atm
n E = ?
z E , HX =
z E ,OC =
While you are completing your HYSYS simulation on the above pump problem, please answer
the following questions:
1. Which HYSYS pump simulation algorithm (pumpa, pumpb, etc. in Appendix E) would you
use to solve this problem? What are the given variables and their values? What are
the calculated variables and their values?
2. After you examine the process states (i.e., the temperature, pressure, flow rate, and
composition) of the inlet and exit streams, please answer the following questions. Why
does the exit temperature increase slightly? What is unique about the molar flow rate
and composition? What equations in the math model and steps in the algorithm
reflect it? What assumptions support this uniqueness? What are the operating
conditions that would invalidate each assumption?
3. What is the ideal work expressed in units of horsepower?
4. In the math algorithm, what variables are only functions of the material state (i.e., the
temperature, pressure, and composition) of the liquid?
5. What does the assumption of adiabatic process imply? Is this a valid assumption?
6. What is the energy relative imbalance (%RIB) ? Show your calculations. The energy
%RIB equals 100*(energy flow in - energy flow out) / (energy flow in).
For the above pump problem, please print its HYSYS flowsheet and its design and worksheet
datasheets.
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Problem HY.3
Cooler Simulation
The HYSYS simulation module for a cooler operation is fully defined in Appendix G of
this handbook. This cooler module contains a process description, process diagram, assumptions,
mathematical model, variable descriptions, mathematical algorithms, and HYSYS simulation
algorithms in functional form. After you read this information about a cooler operation, you are
to practice the HYSYS session below and then do the simulation exercise. For your solution of
Problem HY.3, you are to provide a printed copy of the HYSYS flowsheet and the design and
worksheet datasheets for the cooler operation, as well as the plot generated by the case study, in
the simulation exercise only. Furthermore, you are to provide answers to the questions in the
simulation exercise.
HYSYS Session
This session will show you how to do a HYSYS simulation for a cooler and perform a
case study on the operation. It assumes you are familiar with the material in Tutorials 2.1 to 2.5
of this handbook. You are to find the duty in BTU/h needed to cool a mixture of ethanol and
water from 200C and 583 kPa to a saturated vapor at 570 kPa. This stream is flowing at 900 kgmoles per hour. The cooler is labeled E-200, and its pressure drop is 13 kPa. The conceptual
diagram is:
TI = 200 C
PI = 583 kPa
n I = 900 kgmol / h
z I , ET = 0.6
Vf = 1.0
Q = ?
TE =
Inlet
Exit
E-200
z I ,WA = 0.4
PE = 570 kPa
n E = ?
z E , ET =
z E ,WA =
Using the information from above, you are to practice a HYSYS simulation and case study by
doing the following general tasks:
Beef, Inc.
Choose a property package. Select the PRSV property package, which is an
equation of state.
Create a cooler and name it E-200.
Create the cooler inlet, outlet, and energy streams. Name them Inlet, Exit,
and Q, respectively.
Specify the state of the inlet stream; that is, its temperature, pressure, flow
rate, and composition.
Specify the exit pressure and vapor fraction.
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Problem HY.3
After you specify the state of the inlet stream and the exit pressure and vapor fraction, HYSYS
immediately calculates all of the other properties of the two streams (such as mass flow rate, volumetric
flow rate, vapor fraction, heat flow, etc.) using the PRSV equation of state. Also, HYSYS calculates the
cooler heat duty to be:
= 3.8309x10^6 BTU/hr
Q
should have a negative value to indicate that
Based on thermodynamic sign conventions, this Q
energy is removed from the process stream. However, a positive duty for a cooler operation in
HYSYS indicates energy is being removed from the stream.
The case study tool allows you to monitor the steady state response of key process variables to
changes in your process. Basically, the case study allows you to do what if analyses. In this
session, you are observing how the duty of the cooler varies when the exit temperature is changed
from 200C to 10C. The following general tasks must be completed to perform the case study.
Detailed instructions for each of these tasks is given in Tutorial 2.4 of this handbook.
Insert the variables into the DataBook for your case study. These two variables are the
heat duty of cooler E-200 and the temperature of the exit stream.
Begin your what if analysis.
Activate the IND check box for temperature and the Dep check box for the heat duty.
Supply a Low Bound, High Bound, and Step Size for the temperature; that is, 10C,
200C, and 5C, respectively.
Begin the calculations and generate the plot of heat duty versus temperature.
Simulation Exercise
What heat duty in kJ/h is removed from an equimolar mixture of n-hexane and n-octane
to cool it from 300C at 2 bar to a saturated vapor? a saturated liquid? a subcooled liquid at
100C? What are the final temperatures of the exit stream in the first two cases? This liquid
mixture is flowing at 100 lb-moles per hour. The cooler has a 0.2 bar pressure drop.
Perform a case study to observe the effect of cooler duty as the independent variable
versus the exit temperature as the dependent variable. Be sure to define a range of exit
temperatures that includes both the single-phase regions (vapor and liquid) and the two-phase region
(vapor-liquid).
TI = 300 C
PI = 2 bar
n I = 100 lbmol / h
TE =
Inlet
Cooler
z I , HX = 0.5
z I ,OC = 0.5
Beef, Inc.
Vf =
Q = ?
P = 0.2 bar
3-7
Exit
PE = ?
n E = ?
z E , HX = ?
z E ,OC = ?
7/29/01
Problem HY.3
While you are completing your HYSYS simulation on the above cooler problem, please answer
the following questions:
1. Which HYSYS heater/cooler simulation algorithm in Appendix G would you use to
solve the exit phase problems? to solve the exit temperature problem? Which
HYSYS heater/cooler simulation algorithm would you use to solve the case study
problem?
2. Compare the cooler operation to the pump operation. Which assumptions for the two
operations are the same? How do they differ? Why are some assumptions different?
3. The total energy of a process stream is composed of its molar enthalpy, kinetic
energy, and potential energy. For the subcooled exit stream, what percentage of its
total energy is potential energy? kinetic energy? (hint, a trick question)
4. Which equations in the mathematical model would you use to calculate the molar
enthalpy of the exit stream given the conditions of the inlet stream and the duty of the
cooler? Use these equations to find the exit stream molar enthalpy for a cooling
operation with the inlet stream in this problem, and a duty of 2000 watts. Check that
HYSYS calculates the same result.
5. In your printed case-study plot, label the dew-point temperature and bubble-point
temperature on the temperature axis. After doing this task, you should notice three
distinct areas on the plotted curve. Place a label on the liquid portion, vapor-liquid
portion, and vapor portion of this plot.
This temperature-heat-duty plot is for a multicomponent mixture. What would the
vapor-liquid portion of this plot look like, if the mixture contained only one chemical
component (e.g., pure n-hexane)?
6. What is the energy relative imbalance (%RIB) for an exit temperature of 100C?
Show your calculations. The energy %RIB equals 100*(energy flow in - energy
flow out) / (energy flow in).
For the above cooler problem at an exit temperature of 100C, please print its HYSYS flowsheet,
its design and worksheet datasheets, and the plot generated by the case study.
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Problem HY.4
Mixer/Tee Simulation
The HYSYS process simulator can solve the material and energy balances of many unit
operations that are interconnected by process streams. For example, two or more process streams
can be fed to the HYSYS mixer operation to form one exit stream. This exit stream can then be
fed to a HYSYS tee operation to split it into several streams. Problem HY.4 uses this example to
illustrate how to do a process simulation that has several unit operations in a process flow
diagram (PFD).
The HYSYS simulation module for a stream mixer operation is fully defined in Appendix
D of this handbook. The stream mixer module contains a process description, process diagram,
assumptions, mathematical model, variable descriptions, mathematical algorithm, and HYSYS
simulation algorithms in functional form. No simulation module exists for the tee operation in
this handbook. After you read the information about the stream mixer, you are to practice the
HYSYS session below and then do the simulation exercise. For your solution of Problem HY.4,
you are to provide a printed copy of the HYSYS flowsheet and the design and worksheet
datasheets for the mixer and tee operations in the simulation exercise only. Furthermore, you are
to provide answers to the questions in the simulation exercise.
HYSYS Session
This session will show you how to do a HYSYS simulation for a stream mixer and a tee,
and how to attach two process units. It assumes you are familiar with the material in Tutorials
2.4, 2.5, and 2.9 of this handbook. First, a pure heptane stream is mixed with a pure octane
stream. The resulting binary mixture is then split into two streams with different flow rates. You
are to find the molar flow rate in kgmol/h and the mole fractions of the tees two exit streams.
The pure heptane stream is flowing at 100 kg-moles per hour, and the pure octane stream is
flowing at 200 kg-moles per hour. Both pure streams are at ambient conditions (25C and 1 atm).
The tee exit streams are also at ambient conditions, which assumes no pressure drop across the
mixer or the tee. One tee exit stream is to contain 40% of molar flow rate of the tee inlet stream.
The conceptual diagram is:
TE1 = ?
PE1 = ?
n E1 = ?
TH = 25 C
PH = 1 atm
n H = 100 kgmol / h
z H , HP = 1.0
Exit1
Heptane
M-200
TO = 25 C
PO = 1 atm
nO = 200 kgmol / h
Mix
Octane
zO,OC = 1.0
z E1,OC = ?
T-200
Exit2
n E1 = 0.4 n M
z E1, HP = ?
TE 2 = ?
PE 2 = ?
n E 2 = ?
z E 2, HP = ?
z E 2,OC = ?
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Problem HY.4
equation of state.
Create a mixer and name it M-200.
Create two mixer inlet streams and one mixer outlet stream. Name them
Heptane, Octane, and Mix, respectively.
Specify the state of the inlet streams using the Worksheet/Conditions page;
that is, supply the temperature, pressure, flow rate, and composition of the
heptane stream and the octane stream.
Specify the pressure of the mixer outlet stream using the Design/Parameters
page. To do this, select Set Outlet to Lowest Inlet. In this problem, the
mixer outlet will have the same pressure as the inlet streams.
Create a tee and name it T-200.
Attach the mixer outlet stream as the inlet to the tee and create the tee exit
streams. Name the exit streams Exit1 and Exit2.
Specify the flow ratios using the Splits page. If the tee has N exit streams,
then you must specify the flow ratios for N-1 of them. An exit streams flow
ratio indicates what fraction of the tees inlet stream is to appear in that exit
stream. A flow ratio has a value between zero and one, and all flow ratios
sum to one.
Enter 0.4 for the Exit1 flow ratio. HYSYS calculates an Exit2 ratio of 0.6.
After you specify the given process variables, HYSYS immediately calculates all of the other
properties of the streams using the PRSV equation of state. HYSYS calculates the Exit1 and
Exit2 flow rates and compositions to be:
Property
Molar flow rate
Mole fraction heptane
Mole fraction octane
Exit1
120 kgmol/h
0.3333
0.6667
Exit2
180 kgmol/h
0.3333
0.6667
Simulation Exercise
What are the exit stream molar flow rates (lbmol/hr) and mass compositions in the
following process? A binary mixture of methanol and ethanol at 45C and 300 kPa is mixed with
a pure water stream at ambient conditions. The methanol and ethanol component flow rates are
50 kgmol/h and 75 kgmol/h, respectively. The water flow rate is 100 kgmol/h. The resulting 3component stream is then split into two exit streams. The total molar flow rates for these two exit
streams are in a 3:1 ratio, as shown in the diagram below. For the mixer, the outlet pressure is
equal to the lowest inlet pressure.
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Problem HY.4
TE1 = ?
PE1 = ?
n E1 = ?
TA = 45 C
zE1, ME = ?
PA = 300 kPa
n A, ME = 50 kgmol / h
Exit1
n A, ET = 75 kgmol / h Alcohol
M-200
TW = 25 C
PW = 1 atm
nW = 100 kgmol / h
zW ,WA = 1.0
Mix
Water
zE1,WA = ?
T-200
Exit2
n E1 3
=
n E 2 1
z E1, ET = ?
TE 2 = ?
PE 2 = ?
n E 2 = ?
zE 2, ME = ?
zE 2, ET = ?
zE 2,WA = ?
While you are completing your HYSYS simulation on the above problem, please answer the
following questions:
1. Which HYSYS stream mixer simulation algorithm in Appendix D would you use to
solve the mixer section of this problem? What other unit parameter, which is not
referred to in the algorithm, must you specify in HYSYS?
2. What are the temperature in F, mass density in kg/m3, molar enthalpy in
kcal/kgmole, and molar volume in m3/kgmole of the tees inlet and outlet streams?
What is unique about these values? What are the temperature, mass density, molar
enthalpy, and molar volume, in the same units, of the mixers inlet and outlet
streams? How do these values for the mixer streams differ from those for the tee?
Why?
3. No simulation module exists for the tee operation in the blue HYSYS manual. Write
the mathematical model for a tee. (Note that the tee operation is analogous to taking a liquid
mixture in a large beaker and pouring it into two smaller beakers. What is true about the state of the
material in all three beakers?)
4. What is the material relative imbalance (%RIB) for the process flowsheet? Show
your calculations. The material %RIB equals 100*(matl flow in - matl flow out) /
(matl flow in).
You are to draw an overall system boundary around the flowsheet, which contains
the mixer and tee operations. The only material and energy streams you are to
consider in your imbalance calculation are those that cut your overall system
boundary. Therefore, you would not consider stream Mix in your calculations.
5. What is the energy relative imbalance (%RIB) for the process flowsheet? Show your
calculations. The energy %RIB equals 100*(energy flow in - energy flow out) /
(energy flow in).
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Problem HY.4
For the above problem, please print its HYSYS flowsheet and the design and worksheet
datasheets for the mixer and tee.
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Problem HY.5
Reactor Simulation
The HYSYS simulation module for a chemical reactor operation is fully defined in
Appendix D of this handbook. The chemical reactor module contains a process description,
process diagram, assumptions, mathematical model, variable descriptions, mathematical
algorithm, and HYSYS simulation algorithms in functional form. After you read this information
about the reactor, you are to practice the HYSYS session below and then do the simulation
exercise. For your solution of Problem HY.5, you are to provide a printed copy of the HYSYS
flowsheet and the design, reactions, and worksheet datasheets for the chemical reactor in the
simulation exercise only. Furthermore, you are to provide answers to the questions in the
simulation exercise.
HYSYS Session
This session will show you how to do a HYSYS simulation for a chemical reactor. It
assumes you are familiar with the material in Tutorials 2.5 and 2.6 of this handbook.
Acrylonitrile is produced by the reaction of propylene, ammonia, and oxygen:
2 C3 H6
2NH 3
+ 3O2
2 C3 H3 N
+ 6 H2 O
where 30 molar percent of the propylene is converted.

A 45 mole % propylene and 55 mole % ammonia stream at 25 C and 1 atm is fed to the
reactor. The oxygen is fed to the reactor through an air stream also at 25C and 1 atm. The feed
stream is flowing at 22 kgmol/h, and the air stream is flowing at 78 kgmol/h. Assume an
adiabatic reactor with no pressure drop. You are to find the temperature of the reactor product
stream in C. Also, you are to find the dew-point temperature (Vf = 1) of the reactor product
stream. The conceptual diagram is:
TF = 25 C
PF = 1 atm
n F = 22 kgmol / h
TP = ?
PP = 1 atm
n P = ?
z F , PY = 0.45
z F , AM = 0.55
Feed
R-200
R-200
TA = 25 C
PA = 1 atm
n A = 78 kgmol / h
Product
z P, PY = ?
z P, AM = ?
z P ,O 2 = ?
Air
= 30% of PY
z A,O 2 = 0.21
z P, N 2 = ?
z P, AN = ?
z P,WA = ?
z A, N 2 = 0.79
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Problem HY.5

equation of state.
Specify the six chemical components.
Go to the Reactions tab of the Simulation Basis Manager and add the
reaction components.
Add the conversion reaction. Specify the stoichiometry and basis. Be sure to
enter a propylene conversion of 30%, not 0.30%.
Define the Global Rxn Set to include this conversion reaction.
Connect the Global Rxn Set to the current Fluid Package.
Enter the simulation environment and create a conversion reactor named R200.
Create two inlet streams, Feed and Air, and one reactor outlet vapor stream,
Product, and one outlet liquid stream, noLiquid. The only product in this
case is a vapor. This is an adiabatic reactor, so no energy stream is required.
Do not supply an energy stream name.
Specify the process state of each of the two reactor feed streams.
Set the reactor pressure drop to zero and select the Global Rxn Set.
After you specify the feed and air streams and the chemical reaction, HYSYS immediately
calculates the product stream state using the PRSV equation of state. For the product stream, its
temperature is:
T = 425.25C
The process state of the reactor product stream is calculated by HYSYS. The stream
variables cannot be changed by the user, because their values appear in black. To find the dewpoint temperature of the product stream, you must create a new stream with the same flow rate,
composition and pressure of the product stream. First, place a new stream on the PFD and name
it junk. Second, double click on this new stream to open its property window. Select the Util
tab, press the Copy Stream Specs From... button, and select the Product stream. Select the Cond
tab and set the vapor fraction (Vf = 1) to find the dew point. HYSYS calculates a dew-point
temperature of:
T = 43.73C
Simulation Exercise
For the simulation exercise, consider the same reaction and reactor feed streams that were used in
the HYSYS session. Now the reactor is no longer adiabatic. Instead, it is an isothermal process,
meaning the product stream is at the same temperature as the feed streams, 25C. What is the
reactor duty in kJ/h for this isothermal process?
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Problem HY.5
TF = 25 C
PF = 1 atm
n F = 22 kgmol / h
TP = 25 C
Q = ?
PP = 1 atm
n P = ?
z F , PY = 0.45
zF , AM = 0.55
Feed
R-200
R-200
TA = 25 C
PA = 1 atm
n A = 78 kgmol / h
Product
z P, PY = ?
z P, AM = ?
z P ,O 2 = ?
Air
= 30% of PY
z A,O 2 = 0.21
z P, N 2 = ?
z P, AN = ?
z P,WA = ?
z A, N 2 = 0.79
While you are completing your HYSYS simulation on the above problem, please answer the
following questions:
1. For the adiabatic reactor simulation in the HYSYS session, only a vapor product
stream was required. For the isothermal case, both a vapor and a liquid product
stream is required, as indicated by the red status bar. Why? Above what reactor exit
temperature will only a vapor product stream be required?
2. What is the acrylonitrile composition in the liquid product stream in mole fraction?
in mass fraction? in parts per million (ppm)? in kg/m3? in kgmol/m3? in molarity
(M)? Use the Workbook/Setup... option to add the actual volume flow to the
workbook.
3. What assumptions were used to solve this reactor simulation problem? Compare
these assumptions to those of the chemical reactor module in Appendix H of this
handbook. Are the assumptions the same? If not, how do they differ?
4. Write the overall mole balance equation containing R for the acrylonitrile reaction
problem. What are the reaction constant and its units for acrylonitirle production?
5. What is the energy relative imbalance (%RIB)? Show your calculations. The energy
%RIB equals 100*(energy flow in - energy flow out) / (energy flow in).
6. What is the material relative imbalance (%RIB) on a total molar basis? Show your
calculations. The total molar %RIB equals 100*(total material flow in - total
material flow out) / (total material flow in).
7. What is the material relative imbalance (%RIB) on a total mass basis? Show your
calculations. How does this compare with the %RIB on a molar basis? Explain.
For the above problem, please print its HYSYS flowsheet and the reactor design, reactions, and
worksheet datasheets.
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Overview
This chapter provides seven problem assignments to help you develop a process
flowsheet to make styrene monomer from toluene and methanol by analyzing individual process
units and then connecting these individual units to form the complete flowsheet. Over a sevenweek period, you will have weekly assignments that focus on particular sections of the flowsheet,
beginning with the reaction section. In these assignments, you will conduct a process simulation
on each of the following flowsheet sections using the HYSYS process simulation software:
Problem
SM.1
SM.2
SM.3
SM.4
SM.5
SM.6
SM.7
Description
Styrene Monomer Reaction Section
Reactor Effluent Cooling/Decanting Section
Methanol Recycle Purification Section
Toluene Recycle Purification Section
Toluene/Methanol Feed Preparation Section
Recycle Mixing and Preheating Section
Styrene Monomer Purification Section
Each weekly problem will be assigned in a separate memorandum. Once youve completed
these assignments, you will have synthesized the process flowsheet and determined its processing
requirements for material and energy.
This chapter assumes you have completed certain tutorials found in Chapter 2.
They are Tutorials 2.1 to 2.6 and 2.9. Also, the problem assignments in Chapter 3 on
process units should be completed before you begin your analysis of the process
flowsheet to produce styrene monomer from toluene and methanol.
Technical materials needed to solve the problems in this chapter are provided in
Appendices A, B, C, etc. of this handbook. Appendix A provides complete technical data for the
production of styrene monomer from toluene and methanol. Appendices B, C, etc. contain
simulation modules for various process unit operations. Each appendix or module provides a
mathematical explanation of how HYSYS does its calculations for that process unit. A module
includes a description, a conceptual model, a mathematical model, variable descriptions, example
mathematical algorithms, and several HYSYS simulation algorithms. Please consult the
appropriate appendices to complete an assigned problem.
Microsoft Word files of the seven assignments in this chapter are available on the
departments network file server (R:) in folder chem_engineering/public/HYSYS

Manual/Chap 4. Your instructor will give you directions on how to access this folder.
Beginning with the second problem, you will be provided with the HYSYS solution for
the previous problem. You are to begin the next problem by starting with the solution to the
previous problem. You can find this previous HYSYS solution in the Blackboard CHEG 200
course under the Assignments section.
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Problem SM.1
Styrene Monomer Reaction Section
The heart of a process flowsheet is the reactor. The first step in designing a chemical
process flowsheet is to define the reactor operating conditions. These conditions are used to
simulate the performance of the reactor. Once the reactor has been simulated, other parts of the
flowsheet can be developed.
From the reactor performance table found in Appendix A, you are to use one of the inlet
temperatures to the adiabatic reactor, in order to complete a reactor simulation that forms styrene
monomer from methanol and toluene. The operating conditions in the reactor performance table
are the temperature, pressure, conversion and yield for an equimolar feed of methanol and toluene
to the reactor.
The proposed production rate is 300,000 metric tons per year of styrene monomer. What
is the production rate in kgmol/hr for a 95% onstream time (8,320 hours per year)? Study the
mathematical algorithm and HYSYS simulation algorithm for a reactor in Appendix H to
determine what variables must be specified in order to simulate your reactor. Your study should
reveal that the feed flow rate and composition to the reactor must be specified instead of the total
and component flow rates out of the reactor. Manually estimate the feed flow rate based on 100
percent conversion, no side reaction for ethylbenzene, and the proposed styrene production rate in
kgmol/hr. Please document your calculations.
Using your estimated feed flow rate, run HYSYS to simulate the conversion reactor for
the production of styrene from toluene and methanol. What chemical components are in the
reactor effluent stream and why? The conceptual model for this reactor is as follows:
S10
R1
S11
Use the stream and equipment labels above in your HYSYS process flow diagram (PFD). For the
conversion reactor, two chemical reactions will occurone producing styrene monomer and the
other ethylbenzene. Please note that the HYSYS conversion of toluene for the first reaction is
equal to [overall conversion*yield] at a specific inlet temperature and that for the second reaction
is equal to [overall conversion*(1.00-yield)]. After completing this simulation with the estimated
feed flow rate, use the HYSYS Adjust operation to modify the given reactor feed in order to
obtain the desired production rate of styrene monomer in kgmol/hr. To learn how to apply the
Adjust operation, access the electronic version of the HYSYS Reference Manual from the
Start/All Programs menu in Windows.
After completing the above assignment, supply the HYSYS flowsheet with a material
stream table that includes the actual volumetric flow rate, mass density, and molecular weight.
You can use the Workbook/Setup menu option to add these three items to the table. Also,
include a composition table on the flowsheet PFD. The two tables can be added to the PFD by
clicking the right mouse button on the PFD. Using the HYSYS text capability, you must add a
title, the assignment number, the reactor inlet temperature, your name, and the date to the
flowsheet. See Tutorial 2.9 for directions on text documentation. Finally, print the datablock for
the reactions only by clicking the right mouse button when the cursor is over the reactor icon.
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Problem SM.2
Reactor Effluent Cooling/Decanting Section
In Problem SM.1, you simulated the reactor in the styrene monomer project using data
provided by the Research and Development Department of BEEF, Inc. The reactor R1 has only
one effluent stream, the vapor stream S11. Using physical properties such as critical temperature,
critical pressure, and normal boiling temperature for each reaction component, verify and
document that S11 should indeed be a vapor stream. To verify the stream phase, it may help to
think of a phase (PT) diagram for each component. Physical properties of various chemical
components are given in Appendix A.
A global flowsheet for a chemical process depicts simply the raw materials entering the
flowsheet and the product, byproducts and wastes leaving the flowsheet. Appendix A gives a
block flowsheet for the chemical process of converting toluene and methanol to styrene
monomer. A global flowsheet for the styrene monomer chemical process is shown below.
Recycle Reactants
Off Gas
Byproduct
Raw Materials
Reactor
Effluent
Separation
Sequence
Pure Product
Wastewater
This global flowsheet shows the reactor producing an effluent stream, which must be separated to
purify the product. The reactor effluent goes through a separation sequence in which the off gas,
byproduct, pure product and waste are isolated. Unreacted raw materials are also separated in the
sequence. The reactants are then recycled to the reactor. The number of process exit streams
off gas, pure product, waste, etc.determines the number of separation units required in the
sequence. As a rule of thumb, for multiple process exit streams, the number of required
separation units is between one and the number of exit streams.
The first step in the design of a separation sequence is to decide what the first separation
unit is. Some types of separation are phase splitting, distillation and extraction. Phase splits are
the cheapest method of separation. Think of your separator funnel in organic chemistry labs to
visualize a phase split. Therefore, if possible, a phase splitter is the first separation unit in the
separation sequence.
If the reactor effluent is all vapor, it must be cooled to allow a phase separation to take
place. In the styrene monomer project, the reactor effluent is cooled to allow the formation of
three distinct phases, the vapor phase and two immiscible liquid phases. The two liquids are an
organic phase and an aqueous phase. To predict which components each phase contains,
remember that like dissolves like. The organic phase contains the organics of toluene,
ethylbenzene, and styrene monomer. The methanol partitions between both the organic phase
and the aqueous phase. More information on the three-phase separator is given in the Design
Data section of Appendix A. A three-phase separator is also known as a decanter. Appendix J
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Problem SM.2
provides a mathematical description of how a decanter is modeled. Also, Appendix G describes
how a cooling operation functions.
You now know that the reactor effluent must be cooled from a vapor stream to a
temperature at which three phases exist. You must determine to what temperature the stream is
cooled to produce the phase separation. The cooling is typically carried out by a heat exchanger
in which the effluent is cooled by a water stream. The cooling water is not directly mixed with
the effluent. Rather, the two streams exchange heat so that the hot effluent is cooled while the
cold water is heated. It is unfeasible to design a heat exchanger that cools the hot stream the
entire way to the temperature of the cold stream. Such a heat exchanger would be infinitely large
in area. Typically, it is assumed that the hot stream is cooled to within 5 to 10C of the initial
cold stream temperature. As a rule of thumb, the cooling water is supplied at 31C, so the reactor
effluent is cooled to about 38C. At 38C three phases may exist, and they could be separated in
a decanter.
The next step in the styrene monomer project is to simulate the first separation unit. Use
HYSYS to simulate the effluent cooling and three-phase separator. The conceptual model for the
reactor, cooler, and decanter is as follows:
S13
QE3
S10
R1
S11
S12
E3
F3
S14A
S15
Use the stream and equipment labels above in your HYSYS process flow diagram (PFD).
Account for pressure drops through the reactor (R1), cooler (E3), and decanter (F3) using the data
in Appendix A. Begin with the HYSYS solution of Problem SM.1 provided in the Blackboard
CHEG 200 course under the Assignments section. Your instructor will give you directions on
how to access this folder.
At what temperature in C does two phases (vapor-liquid) start to occur on cooling?
Does three phases (vapor-liquid-liquid) start to occur on cooling? On a molar basis, what fraction
of Stream S11 after cooling to 38C goes to the vapor phase of the decanter? To the organic
phase? To the aqueous phase? On a mass basis, what fraction of Stream S11 after cooling to
38C goes to the vapor phase of the decanter? To the organic phase? To the aqueous phase?
After completing the above assignment, supply the HYSYS flowsheet with a workbook
table for cooling and decanting at 38C. A workbook table can be added to the PFD by clicking
the right mouse button on the PFD and using the drop-down menu. Also, use the HYSYS text
capability to add a title, the assignment number, your name, and the date to the PFD. See
Tutorial 2.9 for directions on text documentation. Finally, supply the three-phase-separator
design and worksheet datasheets.
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Problem SM.3
Methanol Recycle Purification Section
In Problem SM.2, you simulated the first separation operation, a three-phase decanter, in
the separation sequence of the styrene monomer project. In Problem SM.3, you will simulate the
next operation in the separation sequence, a distillation column. A distillation column uses the
difference in boiling points to separate the components of a stream. Think of a liquid mixture of
two components with each component having different boiling points. If the mixture is heated to
a temperature between the boiling points of the two components, the more volatile component
(lower boiling point) vaporizes while the less volatile component (higher boiling point) remains
in the liquid phase. By collecting the vapor, you have effectively separated the binary mixture
into two single phases, the vapor phase containing the more volatile component and the liquid
phase containing the less volatile. The same principle can be used to separate streams with more
than two components into two mixtures with fewer components. All of the more volatile
components will vaporize, and all of the less volatile components will remain in the liquid.
Exactly where the separation occurs, i.e. which components vaporize and which do not, depends
on the temperature that the original mixture is heated to.
A distillation column is a series of stages or trays where each act as a separator according
to boiling points as described above. A column separates a liquid feed stream into two liquid
streams, the distillate and bottoms. The temperature of each tray gradually decreases as you go
up the column. A reboiler at the bottom of the column heats the liquid in the column to a
saturated vapor. This vapor then rises through the trays of the column. As the temperature
decreases going up the column, the less volatile components begin to condense and fall back
down through the column. By the time you reach the top of the column at the lowest
temperature, only the most volatile components are vapors and exit the column. This vapor
stream is condensed to a saturated liquid and then split into a reflux stream and distillate stream.
The reflux stream is sent back to the column. The less volatile components exit from the reboiler
in the bottoms stream.
To consider distillation as a possible separation operation, you must determine the normal
boiling points of the stream components in the feed stream to that column. Find the normal
boiling points (nbp) for all chemical components in the styrene monomer problem. List the
components and nbp in order of increasing boiling point in the table below. HYSYS contains
component properties such as normal boiling point. To find a property value, view your
simulation fluid package and go to the Components page. Double click on the desired
component in the current component list to open a window listing the component properties.
Find the tab that contains the desired property, here the Critical tab for normal boiling point at 1
atm, and read the value and units.
To design a distillation column, you pick two components with adjacent boiling points, as
depicted in the diagram below. The more volatile component is called the light key (LK) and the
less volatile component is called the heavy key (HK). The split in the column is between these
two key components. A perfect separation means that all of the LK would be in the distillate, and
all of the HK would be in the bottoms. However, like in the case of a three-phase separator,
perfect separation is unfeasible. An infinite number of trays in the distillation column would be
required to perform a perfect separation. Therefore, a separation level is chosen for the column.
Most of the LK exits the column through the distillate, with a little in the bottoms, and most of
the HK exits the column through the bottoms, with a little in the distillate. The distillate contains
all components more volatile than the LK (non-LK's), and the bottoms contains all components
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Problem SM.3
less volatile than the HK (non-HK's). A simple diagram to show the component flows is shown
below.
non-LK' s
mos t LK
little HK
non-LK' s
LK
HK
non-HK' s
Column
little LK
mos t HK
non-HK' s
In the table below, where you entered the components and their boiling points, you are to
indicate the feed type of each component, i.e. tell whether each component is a LK, HK, non-LK
or non-HK. Indicate the distribution of each component in the table by stating which stream(s)
(distillate and/or bottoms) the component appears in, and in what relative amount, such as all,
most or little. Remember that the column is being designed to separate methanol from water.
Component
Normal Boiling
Point, C
Feed Type
Distribution
A detailed description of a simple distillation column is given Appendix L of this

handbook. What are the three main parts of a distillation column? The overall mathematical
model for a column consists of a series of smaller math models, one for each of these column
parts. In what order are the overall mathematical model equations solved in the column
algorithm? How does the column algorithm differ from the HYSYS simulation algorithm?
Why?
The diagram for the distillation column used for Problem SM.3 is given below. It
contains a partial condenser and several stages above and below the feed stage. However, the
simple distillation column in Appendix L has a total condenser, meaning the entire vapor coming
off the top of the column is converted to a saturated liquid. To achieve this, all of the components
are assumed to be condensable. However, the column in the styrene monomer problem contains
hydrogen, which is non-condensable. Note hydrogen's extremely low boiling point in your table
above. Because the column contains hydrogen, a partial condenser is used which will allow the
hydrogen to exit the column as a vapor in stream V.
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Problem SM.3

Q
C
Condenser
Stages
V
Distillate
Vent
RF
Reflux
D
Distillate
Feed
Stage
Feed
Stages

Q
R
Bottoms
Reboiler
The use of a partial condenser instead of a total condenser means that one more variable
must be specified for HYSYS to simulate the column. The functional form for the HYSYS
simulation algorithm of this column is
V , D , B , Q C , Q R = column F , PD , PB , N S , N FS , R, xB , LK , VR
where Q C is the condenser energy rate or duty, Q R is the reboiler energy rate or duty, Pi is the
pressure of stream i, N S is the number of column stages, N FS is the feed stage number, R is the
reflux ratio, xB , LK is the mole fraction of the light key (LK) in the bottoms, and VR is the vent
ratio. The reflux ratio of R is the reflux flow (RF) rate over the distillate (D) flow rate. The vent
ratio of VR is the distillate vent flow (V) over the feed flow (F). The vector i is a short
notation to represent the temperature, pressure, flow rate, and chemical composition of
stream i.
Shortcut methods exist to estimate column design variables like N S , N FS ,and R. To
solve the rigorous HYSYS distillation column, the number of column trays, the tray at which the
feed enters the column, and three other variables must be specified. For this problem you will use
the reflux ratio, the mole fraction of methanol in the bottoms, and the vent ratio as the three other
variables. A shortcut analysis has already been performed on the column, and the following
values were found:
Number of stages
Feed Stage
Reflux ratio
LK in bottoms
Vent Ratio
=
=
=
=
=
24
14
3
0.001
1.0e-4
mol. frac.
These estimated variables can then be used as inputs to the rigorous distillation column in
HYSYS. The shortcut analysis found the first three items based on a specified mole fraction for
the light key in the bottoms stream.
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Problem SM.3
Begin your HYSYS simulation for the methanol/water column from the HYSYS solution
to Problem SM.2 located in the Blackboard CHEG 200 course under the Assignments section.
Your instructor will give you directions on how to access this folder. This SM.2 solution now
includes a valve and heater to prepare the aqueous stream for distillation. It also has an
unattached rigorous distillation column in the PFD. Use the labels given below to define the
rigorous distillation column.
S17V
QCC3
S17
S16
C3
S18
QRC3
Double click the rigorous distillation column in the PFD, to open its property window. On the
Design/Connections page, enter the column name, the material and energy stream names, and the
number of stages and feed stage found from the shortcut method. Make sure the partial
condenser is chosen so you can name the vent stream S17V. Enter 123 kPa for the condenser
pressure and 134 kPa for the reboiler pressure. The pressures of every stage between the
condenser and reboiler will be calculated by HYSYS. Go to the Design/Monitor page and enter
values in the Specified Values column for the reflux ratio, mole fraction of the LK in the
bottoms, and the vent ratio. On the Design/Monitor page, the degrees of freedom box in the
lower right corner currently show three. It must be zero in order for the column to be solved. To
make this zero, you must tell HYSYS which specifications to use. Click the boxes to the right of
the values you specified to make the reflux ratio, mole fraction of the LK in the bottoms, and the
vent ratio active specifications. Note that a fourth specification for the mole fraction of the heavy
key in the distillate must be inactive.
Once enough variables are specified to satisfy the degrees of freedom, the column will
iterate to find a solution. The green converged message will show up in your column window to
indicate the rigorous distillation simulation is solved. Sometimes the column calculations may
not converge. When this happens, deactivate the LK specification and active the HK
specification. Then, run the calculations again to see if the distillation simulation will converge.
How was the value for the vent ratio estimated? What are the distillate, vent, and
bottoms flow rates in kg/h? What are the mole fractions of the HK in the bottoms and the LK in
the distillate? Using the Performance/Plots page, print plots of the temperature profile and
composition profiles of the LK and HK in the column. Hand in your PFD and the design and
worksheet datasheets for C3.
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Problem SM.4
Toluene Recycle Purification Section
In Problem SM.3, you simulated the distillation column that recovered methanol in the
aqueous stream from the three-phase decanter. This recovered methanol will eventually be
recycled in a later problem. The next operation in the separation sequence of the styrene
monomer project is another distillation column. In Problem SM.4, you will simulate a distillation
column to separate reactants from products in the organic stream leaving the three-phase
decanter. The organic stream contains both methanol and toluene that are to be recycled to the
reactor. The organic stream also contains the styrene monomer product and the byproduct
ethylbenzene.
As with column C3 in Problem SM.3, the first step in simulating the distillation column
is to find the normal boiling points (nbp) for all chemical components in the styrene monomer
problem and list the components and nbp in order of increasing boiling points in the table below.
To find the normal boiling point of the components in HYSYS, view your simulation fluid
package and go to the Components page. Double click on the desired component in the current
component list to bring up a window listing the component properties. Find the tab that contains
the desired property, here the Critical tab for normal boiling point, and read the value and units.
In the table below, where you entered the components and their boiling points, you are to
indicate the feed type of each component, i.e. tell whether each component is a LK, HK, non-LK
or non-HK. Indicate the distribution of each component in the table by stating which stream(s)
(distillate and/or bottoms) the component appears in, and in what relative amount, such as all,
most or little. If necessary, refer to the Problem SM.3 handout to refresh yourself with the
concept of key components. Remember that the column is being designed to separate the
reactants from the products.
Component
Normal Boiling
Point, C
Feed Type
Distribution
As in the case of methanol column C3, the feed to this column, called C1, contains the
uncondensable, hydrogen, which means a partial condenser must be used. Column C1 is depicted
on the next page. What is the functional form for the HYSYS simulation algorithm for this
column? Define each of the variables in this functional form. (HINT: Refer to the Problem SM.3
handout)
Shortcut methods exist to estimate column design variables like number of stages, feed
stage location, and reflux ratio. To solve the rigorous HYSYS distillation column, the number of
column trays, the tray at which the feed enters the column, and three other variables must be
specified. For this problem you will use the reflux ratio, the mole fraction of toluene in the
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Problem SM.4
bottoms, and the vent ratio as the three other variables. A shortcut analysis has already been
performed on the column, and the following values were found:
Number of stages
Feed Stage
Reflux Ratio
=
=
=
LK in bottoms
Vent Ratio
=
=
28
13
3
0.001
5.0e-3
mol. frac.
These estimated variables are the inputs to the rigorous distillation column in HYSYS.
Begin your HYSYS simulation for the column from the HYSYS solution to Problem
SM.3 located in the Blackboard CHEG 200 course under the Assignments section. Your
instructor will give you directions on how to access this folder. The SM.3 solution now includes
a valve and heater to prepare the organic stream for distillation. It also has an unattached rigorous
distillation column in the PFD to process the organic stream (S22). Use the labels given below to
define the rigorous distillation column.
S23V
QCC1
S23
S22
C1
S24
QRC1
Double click the rigorous distillation column in the PFD, to open its property window. On the
Design/Connections page, enter the column name, the material and energy stream names, and the
number of stages and feed stage found from the shortcut method. Make sure the partial
condenser is chosen so you can name the vent stream S23V. Enter 79 kPa for the condenser
pressure and 99 kPa for the reboiler pressure. The pressures of every stage between the
condenser and reboiler will be calculated by HYSYS. Go to the Design/Monitor page and enter
values in the Specified Values column for the reflux ratio, mole fraction of the LK in the
bottoms, and the vent ratio. On the Design/Monitor page, the degrees of freedom box in the
lower right corner currently show three. It must be zero in order for the column to be solved. To
make this zero, you must tell HYSYS which specifications to use. Click the boxes to the right of
the values you specified to make the reflux ratio, mole fraction of the LK in the bottoms, and the
vent ratio active specifications. Note that a fourth specification for the mole fraction of the heavy
key in the distillate must be inactive.
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Problem SM.4
Once enough variables are specified to satisfy the degrees of freedom, the column will
iterate to find a solution. The green converged message will show up in your column window to
indicate the rigorous distillation simulation is solved. Sometimes the column calculations may
not converge. When this happens, deactivate the LK specification and active the HK
specification. Then, run the calculations again to see if the distillation simulation will converge.
How was the value for the vent ratio estimated? Recall that the vent ratio is the
molar ratio of the vent stream flow rate to the feed stream flow rate. You can use the component
flow rates of the non-condensibles in the feed and the total feed rate to estimate the vent ratio.
This estimation assume all non-condensibles (methanol and hydrogen) will exit the column in the
vent stream.
What are the distillate, vent, and bottoms flow rates in kg/h? What are the mole fractions
of the HK in the bottoms and the LK in the distillate? Using the Performance/Plots page,
print plots of the temperature profile and composition profiles of the LK and HK in the
column. Hand in your PFD and the design and worksheet datasheets for C1.
Colum
n C1 is designed to separate the reactants from the products in order to recycle the
reactants. The C1 distillate stream contains the recycled reactants. The recycle stream must be
prepared, in order to be mixed with fresh raw materials before entering the reactor. The fresh and
recycled reactant streams are mixed as saturated vapors at 570 kPa. Add a pump and heater to
distillate stream S23 to reach the saturation point at 570 kPa in stream S26 below. You must
decide whether to heat the stream first, or to pump it first. Compressing a gas takes much more
energy than pumping a liquid. Therefore, if you heat the stream to a saturated vapor first, extra
energy will be needed to compress the vapor to the desired pressure. As a heuristic rule, pump
the liquid first and then heat to a saturated vapor. Don't forget to account for the pressure drop
across the heater using the data in Appendix A. The desired pressure of 570 kPa is the final
pressure, after the pump and heater. Use the following labels in your simulation:
QE5
WP4
S25
S23
S26
E5
P4
C1
Hand in the design and worksheet datasheets for P4 and E5.
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Problem SM.5
Toluene/Methanol Feed Preparation Section
In Problem SM.1, you simulated the reactor to produce styrene monomer from toluene
and methanol. In SM.1 you assumed a single reactor feed stream that contained the two reactants
at the optimum reactor conditions of 512.5C and 400 kPa. Most likely, the raw materials (i.e., the
two reactants) will actually be available individually at some other conditions. In this case, pure
methanol and pure toluene are both available at ambient conditions, 25C and 1 atm. In Problem
SM.5, you are to simulate the preparation of the methanol and toluene.
The pure methanol and pure toluene streams are to be mixed as saturated vapors at 570
kPa. This means that each raw material must be compressed and heated separately before being
mixed. Compression of a gas requires considerably more energy than compression of a liquid.
As a general heuristic rule, you should first pump the liquid to the desired pressure and then heat
the high-pressure liquid to a saturated vapor. You are to simulate the preparation of the two pure
raw material streams, one for methanol and one for toluene, from ambient conditions to saturated
vapors at 570 kPa. From Problem SM.1, the amount of reactants needed to produce 300,000
metric tons per year of styrene monomer was determined to be 584 kgmol/h of methanol and 584
kgmol/h of toluene.
You are to begin a new case file for the HYSYS simulation in this problem, using the
PRSV property package with two chemical componentstoluene and methanol. You can
assume a 75% adiabatic efficiency for the pumps. After you have pumped and heated the raw
material streams to the desired conditions, you are to mix the two streams to create a single
reactor feed stream. Use the following labels in your HYSYS simulation:
QE1
WP1
S2
S1
toluene
S3
P1
E1
M1
QE2
WP2
S6
S5
S4
methanol
S7
P2
E2
Using
the Performance/Plots page, produce graphs of temperature versus heat duty (T vs.
for heater E1 and also heater E2. Be sure to include the liquid, vapor-liquid, and
vapor regions in each plot. On each cooling curve, label the two sensible heat regions and the
latent heat region. What are the dew-point and bubble-point temperatures of stream S2 and also
stream S5? What is unique about the dew point and bubble point for each pure chemical
compound? Explain.
Q, a cooling curve)
Using the Gibbs phase rule (see F&R, 3rd Ed., p. 247), find the degrees of freedom for when a
phase transition occurs. How does a cooling curve depict this transition? (HINT: Look at the slope of
the curve during a phase transition.) Hand in your PFD and your two cooling curve graphs.
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Problem SM.6
Recycle Mixing and Preheating Section
In Problem SM.5, you simulated the compression and vaporization of the two fresh
reactant streams, pure toluene S1 and pure methanol S4, for the styrene project. The feed to the
reactor also contains recycled material from columns C1 and C3, as depicted in the block
flowsheet of Appendix A. The recycle streams must be mixed with the fresh reactant stream
before entering the reactor, creating a recycle loop in the process. In Problem SM.6 you are to
simulate the recycle loop.
Begin with the solution to Problem SM.5 located in the Blackboard CHEG 200 course
under the Assignments section. Your instructor will give you directions on how to access this
folder. The SM.5 solution now includes the fresh reactant compression, vaporization, and
mixing, as well as the rest of the process flowsheet from the reactor to the distillation columns C1
and C3. However, the fresh reactant stream is not yet connected to the reactor. The recycled
streams from the distillation columns are pumped and heated to bring them to saturated vapors at
570 kPa before mixing with the fresh reactants. Create another mixer in the flowsheet to combine
the fresh reactant stream with the two recycle streams. This stream then must be prepared to enter
the reactor. Add a heater to heat the stream to the reactor temperature 512C. The heater used to
reach such a high temperature is a fired heater, basically a furnace that burns natural gas. Use
the usual HYSYS heater with a pressure drop of 170 kPa. This pressure drop will set the reactor
feed stream S9 to the reactor pressure of 400 kPa. Use the following labels in the PFD:
QFH1
S26
S7
M2
S8
S9
FH1
S21
Now
stream S9 represents the reactor feed. However, the process state of S9 is calculated
by assuming the conditions of reactor feed S10, which you did in Problem SM.1. To close the
recycle loop, you must verify that the process state of stream S9 exiting the fired heater FH1 is
identical to the reactor feed stream S10. Open the property windows of streams S9 and S10 and
compare their temperatures, pressures, flow rates, compositions, and heat flows. The iterative
method of successive substitution is used to converge the process state of the reactor feed stream.
To assume a new state for the reactor feed stream of S10, copy the conditions of S9 into S10
using the Define From Other Stream button in the property window of stream S10. This
action will cause HYSYS to recalculate all of the process units and produce a different calculated
S9. The process states of S9 and S10 should now be closer to each other. Again copy the
conditions of S9 into S10 to assume a new process state for the reactor feed stream. You could
continue this process, manually performing the successive iterations until the process state of S9
is identical to that of S10. After performing three (3) manual iterations, you are to hand in the
worksheet datasheets for streams S9 and S10.
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Problem SM.6
HYSYS has an operator that will perform automatically the successive iterations for you.
Add a recycle operation between streams S9 and S10 as shown below.
S9
S10
RCY-1
HYSYS will now automatically iterate on the process state of these two streams to solve the
recycle loop. When the recycle operator has converged, you will get a green converged message
at the bottom of the recycle property window. After convergence, what are the component molar
and mass flow rates of the reactor feed, stream S10?
Hand in your PFD and the design and worksheet datasheets for the recycle operator RY.
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Problem SM.7
Styrene Monomer Purification Section
In Problems SM.1 through SM.6, you simulated the production of styrene monomer from
methanol and toluene, including the separation and recycle of unused reactants. In the resulting
flowsheet produced by solving these problems, the bottoms stream from the separation column
C1 contains both the product styrene monomer and the by-product ethylbenzene. A distillation
column is needed to purify the desired styrene monomer to produce a product stream that meets
the design specification. In Problem SM.7, you are to simulate the purification of the styrene
monomer.
Begin with the solution to Problem SM.6 located in the Blackboard CHEG 200 course
under the Assignments section. Your instructor will give you directions on how to access this
folder. The SM.6 solution now includes a valve and cooler to prepare the organic stream from
the decanter for separation, as well as column C2 for the separation of ethylbenzene from styrene
monomer. You need to provide the specifications to simulate the separation in column C2 that
operates with a total condenser. The specifications you will use are: number of trays, feed tray
location, reboiler and condenser pressures, reflux ratio, and light-key (LK) composition in the
bottoms. The number of trays and feed tray location are already specified in the SM.6 solution
file. The following information is given to you:
Reboiler Pressure
Condenser Pressure
Reflux Ratio
=
=
=
83 kPa
31 kPa
35
You must determine the LK composition in the bottoms. Remember that column C2 is being
designed to separate ethylbenzene from styrene.
The LK composition in the bottoms is a mass fraction, and the bottoms stream contains
the product styrene monomer. Using the technical data provided in Appendix A, determine the
design specification of the LK in the bottoms stream. What is the LK mass fraction in the
bottoms, and what is the feed ratio? Finally, enter this column specification and the other ones
above for C2 and then have HYSYS solve the column operation for you.
The distillation column produces distillate and bottoms streams at pressure below
ambient. The product and by-product must be stored at ambient conditions until they are needed
for sales in the marketplace. Simulate the pumping and cooling of both streams to ambient
conditions, accounting for a pressure drop in each cooler using information provided in Appendix
A. Use the labels given in the diagram below:
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Problem SM.7
QE6
WP5
S28
S27
S30
P5
C2
S31
E6
QE7
WP6
S29
S32
E7
P6
S33
Once you have completed the above simulation of the entire flowsheet, you are to
perform an overall energy and material balance check. To help you perform these balances, use
the tables that are provided on the last page of this problem assignment.
What are the material relative imbalances (%RIBs) on a total mass and molar basis for
the entire flowsheet? What is the energy relative imbalance (%RIBs) for the entire flowsheet?
Show your calculations. Hand in your completed tables, the PFD, and the C2 design and
worksheet datasheets.
Finally, calculate the net profit for the production of styrene monomer from toluene and
methanol. The net profit in $/yr is:
sales of
product
sales of
by-product
fuel-value
credit
cost of
raw mat'ls
cost of
utilities
annualized
capital cost
Use the economic information provided in Appendix A for the necessary sales and cost prices and
the fuel-value credit. To get the fuel credit, duplicate the vapor streams from the decanter and the
one distillation column in the PFD, and then mix these duplicate streams to form one off-gas
stream, which will be given a credit as fuel. To determine this credit, you will need to find the
lower heating value of this off-gas stream. HYSYS has already calculated this heating value.
You need to add it to the HYSYS Workbook window through the Workbook/Setup menu
option.
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Problem SM.7
Unit Operation Energy Flows In

Unit Operation
Duty or Work, kJ/h
Unit Operation
P1
CE3
E1
P3
P2
E4
E2
P5
FH1
P6
P4
C1 reboiler
E5
C2 reboiler
CE1
C3 reboiler
Duty or Work, kJ/h
Distillation column reboiler and condenser duties can be found on the Summary
tab of the column property window.
Unit Operation Energy Flows Out

Unit Operation
Duty, kJ/h
Unit Operation
E3
C1 condenser
CE2
C2 condenser
E6
C3 condenser
Duty, kJ/h
E7
Stream Energy and Material Flows

Duty or Work
Energy Flow, kJ/h
Material Flow, kg/h
In or Out?
S1
S4
S13
S23V
S18
S31
S33
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Appenidx A.
Styrene Monomer Production

Introduction
A two-step process starting with benzene and ethylene produces 90% of the styrene
monomer marketed in the United States. First, benzene is alkylated with ethylene to form
ethylbenzene. After purification, the ethylbenzene is catalytically dehydrogenated to produce
styrene. The dehydrogenation step is endothermic and requires a large quantity of steam mixed
with the ethylbenzene to maintain the desired reaction temperature, to depress coking of the
catalyst, and to dilute the reaction concentration to enhance the reaction equilibrium.
Chemists in our Research and Development (R&D) Department of BEEF, Inc. have
discovered a catalyst, which will produce styrene from toluene and methanol in one step, and
steam addition is not required. Some byproduct ethylbenzene is also produced which can be sold
to conventional styrene producers. This catalyst discovery might give our clients the opportunity
to develop a new, low-cost route to styrene.
Proposed Styrene Process

Chemical engineers in our R&D Department of BEEF, Inc. have done some pilot-plant
studies on this new one-step process. They have defined the following preliminary block
flowsheet for this process:
toluene recycle
H2 fuel
toluene
decanter
column
organic
furnace
methanol
reactor
aqueous
methanol
methanol recycle
recycle
column
ethylbenzene
column
waste water
styrene monomer
In this flowsheet, toluene and methanol feeds at 25C and 1 atm are compressed and heated too
saturated vapors at 570 kPa. These two feeds are then mixed with a toluene recycle and a
methanol recycle (both of which are saturated vapors at 570 kPa) to form the feed stream to the reactor.
This feed stream is superheated in a fired furnace and then fed to the catalytic reactor where the
following vapor-phase reactions take place:
____________________
The material in this appendix has been extracted from the 1985 Student Contest ProblemStyrene
from Toluene and Methanol published by the American Institute of Chemical Engineers (AIChE). The
reactor performance table was modified by adding a fifth temperature column of 540C.
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Appenidx A.
C7H8
CH3OH
toluene
C7H8
methanol
CH3OH
toluene
methanol
C8H8
styrene
C8H10
H2O
water
ethylbenzene
H2
hydrogen
H2O
water
In a preliminary design analysis, one could assume that other byproduct formation and
polymerization of styrene monomer are negligible and that the catalyst does not coke or
deactivate with time.
The reactor effluent stream is condensed with cooling tower water and cooled to 38C,
forming three phasesvapor, organic, and aqueousin a decanter. The vapor stream from the
decanter contains mostly hydrogen, and it could be used as a fuel. The aqueous stream contains
primarily methanol and water, and it is sent to a methanol distillation column. This columns
product stream is the recycled methanol, while its bottoms stream is wastewater, which is
eventually discharged at 25C and 1 atm. The organic stream from the decanter contains mostly
toluene, ethylbenzene, and styrene monomer. It is sent to a toluene distillation column. This
columns product stream is the recycled toluene stream containing some methanol, while its
bottoms stream contains mostly ethylbenzene and styrene monomer, which are sent to the styrene
distillation column. In the styrene column, the product stream is mostly ethylbenzene, and the
bottoms stream is mostly styrene monomer. Both of these streams are then cooled to 25C and 1
atm before each enters a storage tank.
Technical Data
A. Reactor Performance
Chemical engineers in our R&D Department have taken the following data for
determining the adiabatic reactor performance. Linear interpolation can be used between
temperatures for intermediate values.
480
495
510
525
Inlet Temperature, C
Inlet pressure, kPa abs.
400
400
400
400
Conversion
0.68
0.71
0.76
0.82
Yield
0.87
0.83
0.78
0.72
Rate
36
73
130
190
Conversion = moles toluene reacted/moles toluene fed.
Yield
= moles styrene formed/moles toluene reacted.
Rate
= gmoles toluene reacted/m3 catalyst/min.
540
400
0.88
0.66
250
In collecting these reactor performance data, the pilot-plant experiments used only stoichiometric
feed to the reactor. Therefore, any design study should be based only on stoichiometric feed (i.e.,
equal moles of toluene and methanol).
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Appenidx A.
B. Physical Properties
Some physical properties are given in the table below. These values have been rounded
off for manual calculations. All pressures are absolute.
Property
Molecular Weight
Normal Boiling Point, C
Critical Temperature, C
Critical Pressure, kPa
Critical Compress. Factor
Ideal Gas at 25C, kcal/mol:
Heat of Formation
Free Energy of Formation
Methanol
32
65
239
8094
0.230
Water
18
100
374
22054
0.232
Toluene
92
111
321
4233
0.270
Ethylbenzene
106
136
344
3599
0.262
Styrene
104
145
364
3674
0.252
Hydrogen
2
-253
-240
1296
0.318
-48.1
-38.8
-57.80
-54.64
11.95
29.16
7.12
31.21
35.22
51.10
0.00
0.00
C. Thermodynamic Model
For a preliminary design study, all necessary thermodynamic calculations for physical
properties (such as density and molar enthalpy) and for phase equilibria (such as vapor-liquid or vapor-liquidliquid) can be done using an equation of state. The Peng-Robinson Stryjek-Vera (PRSV) equation
of state is recommended for the analysis of the manufacture of styrene monomer from toluene and
methanol. The PRSV equation is an improvement on the Peng-Robinson (PR) equation of state,
and it extends the application of the PR method to moderately non-ideal systems.
Design Data
(Including Simplifying Assumptions)
A. Material Balance
The proposed plant capacity is 300,000 metric tons per year of crude styrene monomer,
which includes 300 ppm of contained ethylbenzene. The onstream time is 95% (8,320 hours per
year). Yield losses due to trace byproducts can been ignored. Other assumptions are:
1. Impurities in purchased methanol and toluene are negligible.
2. Water, ethylbenzene and styrene monomer recycled to the reactor feed are at small
enough concentrations to pass through as inerts.
B. Three-Phase Separator
The reactor effluent condensed with cooling-tower water forms three phases: vapor,
organic, and aqueous phases (Phase phenomena are given below). In a preliminary design study, the
vapor phase could be given a fuel-value credit. The organic phase must be processed to recover
unreacted toluene and methanol for recycle and to purify the styrene and ethylbenzene streams to
meet design specifications. Also, the aqueous phase must be processed to recover unreacted
methanol.
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Appenidx A.
The lowest acceptable process outlet temperature for all water-cooled heat exchangers is
38C and is limited by the cooling tower water supply temperature.
Vapor Phase
Phase equilibrium for all condensibles in the three-phase decanter are

approximated using the PRSV equation of state.
The off-gas will be given a credit as fuel at its lower heating value. This value is
the calories evolved from complete combustion of all of the components in the
stream at 25C, when the final state of all of the water formed and originally
present in the fuel is vapor.
Aqueous Phase
Except for methanol, negligible organics will partition into the aqueous phase.
Methanol is to be recycled as a saturated vapor at 570 kPa.
Organic Phase
Negligible water will partition into the organic phase.

Mostly methanol partitions into both the organic and aqueous phases.
Toluene/methanol are to be recycled as a saturated vapor at 570 kPa.
C. Distillation
Nominal atmospheric distillations will operate at 136 kPa (k = kilo, Pa = Pascals) top tray
pressure and 123 kPa condenser outlet pressure. Avoid column-operating pressures above
nominal atmospheric. Allow 5 kPa pressure drop between the top of the column and the
condenser outlet for vacuum columns.
Do not exceed 145C in any column with more than 50 mass % styrene monomer (SM) in
the bottoms, in order to minimize SM polymerization.
Use the shortcut methods of Fenske for minimum stages, Underwood for minimum
reflux, and Gillilands correlation for operating reflux before doing a rigorous column
calculation.
liquids.
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The feed, distillate, and bottoms streams of a distillation column are to be saturated
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Appenidx A.
D. Design Specifications
Some design specifications for the aromatic and wastewater streams are:
Recycle Methanol
Recycle Toluene
EB Byproduct
Crude SM Product
Waste Water
No specified limit on toluene.

No specified limit on methanol.
4 wt % EB maximum.
5 wt % maximum for sum of EB and SM.
0.8 wt % toluene maximum.
3 wt % SM maximum.
300 ppm EB maximum.
(ppm is parts per million by weight)
Governmental standards on all pollutants.
The Environmental Protection Agency (EPA) standards for water pollution are given as the
maximum parts per million (ppm on mass basis) for any one day. These standards are: 80 ppm for
toluene, 60 ppm for methanol, 108 ppm for ethylbenzene, and 108 ppm for styrene monomer.
E. Equipment Pressure Drop

For a preliminary design study, the following pressure drops may be assumed:
Fired heater
Reactor
Heat exchangers* (shell and tube sides)
Condensers under vacuum
Other major equipment
Distillation Trays:
1.0 kPa per theoret. stage for pressure columns.
0.6 kPa per theoret. stage for vacuum columns.
66 kPa
70 kPa
13 kPa
5 kPa
13 kPa
*Includes condensers, vaporizers, interchangers and all other

exchangers except condensers operated under vacuum.
Negligible pressure drop through piping may be assumed.
F. Compression or Pump Efficiency

The isentropic compression efficiency can be assumed to be 80%. The combined
mechanical and electrical efficiency is approximately 90%.
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Appenidx A.
Economic Data
A. Manufacturing Costs
Since plant startup is targeted for 1998, the manufacturing costs given below are based on
that year. (Basis of units: K = thousands, M = millions, 1998 dollars)
Raw Materials:
M
ethanol
$0.19/kilogram
Tol
uene
$0.42/kilogram
Credits:
Off-gas from three-phase separator
$3.10/M kilojoules
Utilities:
Natural gas*
$4.40/M kilojoules
Steam
:
2865 kPa, satd.
$17.30/K kilograms
625 kPa, satd.
$12.20/K kilograms
Cooling water
$0.03/K liters
Inlet temp., avg.
31C
Outlet temp., avg.
41C maximum
El
ectricity
$0.065/kWH
Condensate and Boiler feed water
$2.50/K liters
*Assume 90% efficiency for the fired heater fuel usage.
Onstream time is 95% or 8320 hours per year.
B. Product Sales
The gross profit is an initial economic indicator. It is defined as the product sales plus
any credits minus the raw material costs. The product values given below are based on 1998
prices.
Product Values:
Crude Styrene product
Ethylbenzene byproduct
$0.91/kilogram
$0.57/kilogram
Forecasting costs over the lifetime of a new project is a difficult task. The cost data given here
are tentative and appropriate only for preliminary economic evaluations. All costs are for 1998
and apply to the Houston Gulf Coast area, where the plant will be located.
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Appendix B. HYSYS Simulation Modules

The HYSYS software system is an integrated engineering environment for the
development and analysis of chemical process flowsheets. It provides you with:
steady-state modeling and optimization for process design, and
dynamic modeling for process controllability and control strategy development.
HYSYS is licensed for educational use only in our university by Aspen Technology, Inc. of
Cambridge, MA. This BEEF handbook focuses on steady-state modeling, often called chemical
process simulation.
A chemical process flowsheet is a conceptual representation of the transformation of raw
materials into products through a series of process unit operations connected by process streams.
Appendices C, D, etc. present simulation modules for the material and energy balances of some
standard process unit operations. In general, a process unit transforms the material passing
through it, and this transformation is represented by a set of algebraic equations, called a
mathematical model. This model presents the material balances, energy balance, and
thermodynamic relationships for the process unit. Since the math model has more variables than
equations, its degrees-of-freedom (DOF) tells you the number of variables that must be specified
to solve the equations. The order in which the model equations are solvedthe math
algorithmdepends on which variables are specified.
In HYSYS more than one combination of specifications can be used to solve the
mathematical model of a process unit. For example, in a pump simulation you can specify the
inlet stream and the outlet pressure or pressure drop. You could also specify outlet information
instead of inlet. This type of specification is known in HYSYS as backward propagation.
HYSYS can back-calculate for the inlet conditions of a process unit given the outlet conditions
and appropriate information to fulfill the degrees of freedom. This flexibility comes from the
underlying mathematical equations that exist for each process unit and the different ways these
equations can be solved.
HYSYS incorporates the mathematical models for many process unit operations and
knows which mathematical algorithm of a process unit to use according to which variables you
have specified. Some of the physical operations supported by HYSYS are as follows:
material stream
energy stream
component splitter
compressor / expander
cooler / heater
heat exchanger
LNG exchanger
mixer
plug flow reactor
pipe segment
pump
reactor operations
separator / 3-phase separator / tank
separation column
shortcut column
solid separator operations
tee
valve
The HYSYS Reference Manuals describe these process units in detail but do not provide an
analysis of their mathematical models. These HYSYS manuals exist as Adobe Acrobat Reader
files. You can access them through the Windows Start/Run prompt. Type in the Open:
box of the Run window \\eng-file1\engapps\Hysys-Docs and then click the OK button.
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Appendix B. HYSYS Simulation Modules

Appendices C, D, etc. of this handbook present the mathematical models and some of
their math algorithms for ten standard process units, in order to help you understand how HYSYS
(or any simulation package, including hand calculations) solves the material and energy balances of
these process units. The process unit modules in these appendices are for the following flowsheet
operations:
Module
Process Stream
Stream Mixer
Pump
Valve
Heater/Cooler
Chemical Reactor
Two-Phase Separator
Three-Phase Separator
Component Splitter
Distillation Column
Description
Contains chemical components flowing at a certain state
Mixes two or more process streams to make one stream
Increases the pressure of a liquid process stream
Decreases the pressure of a process stream
Heats or cools a process stream
Reacts the chemical compounds to form desired products
Separates a process stream into vapor and liquid streams
Separates a process stream into vapor, organic, and aqueous streams
Splits a process stream into two streams at different temperatures
Separate a process stream through a series of equilibrium stages
The format for each module has been standardized, in order to aid your learning process. This
format is as follows:
1.
2.
3.
4.
5.
6.
7.
Description
Process Diagram
Assumptions
Mathematical Model
Variable Descriptions
Mathematical Algorithms
HYSYS Simulation Algorithms
The description explains the purpose of the process unit operation. The process diagram depicts
the flow of material and energy. The assumptions list the conditions under which the
mathematical model is applicable. The mathematical model presents the material balances,
energy balance, and thermodynamic relationships for a process unit; that is, the algebraic
equations that model a process unit simulation. The mathematical algorithms are representative
examples of how the mathematical model could be solved for a specified set of variables that
satisfies the degrees of freedom. The HYSYS simulation algorithms are representative examples
of what you can specify to do a process unit simulation. These examples include calculations for
both forward and backward propagation of information flow. You may have to consult the
HYSYS Reference Manuals to discover all of simulation algorithms supported by HYSYS for a
process unit operation.
____________________
Microsoft Word (.doc) files and Acrobat Reader (.pdf) files are available on the departments network
file server (R:) in folder chem_engineering/public/HYSYS Manual for all materials in this HYSYS
manual, including the modules in the appendices. Your instructor will give you directions on how to
access this folder. If some equations in a Word document happen not to display correctly, then use the
(.pdf) file version of the document instead.
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Appendix C. Process Stream Module

Description
This simulation module models a process stream containing material that is composed of
multiple chemical compounds or components. A process stream moves (i.e., flows) this material
from one process unit operation to another in a process flowsheet, connecting the two. In a
process simulation, the material in a process stream is assumed to have uniform temperature,
pressure, flow rate, and composition. These four quantities are referred to as the process state of
a material stream. The flow rate and composition can be expressed in terms of molar, mass, or
volumetric quantities.
The mathematical model for a multi-component process stream is given below. In this
model, the isothermal, single-phase stream has uniform and ideal mixing, no pressure drop, and
no chemical reaction. The independent set of equations contains the relationships between molar,
mass, and volumetric quantities, and the functions for pure component densities and molecular
weights. To solve the equations in this model, (nc+3) design variables must be specified, as
indicated by the degrees-of-freedom analysis below.
Many mathematical algorithms can be derived from this model to do the material stream
calculations. These algorithms differ in their given variables and their solution procedures. Two
such algorithms are shown below. The first math algorithm is based on knowing the total molar
flow rate and composition, while the second is based on knowing the component molar flow rates
only. As indicated below, the second algorithm is just an extension of the first algorithm. Other
possible mathematical algorithms for a single-phase stream supported by the HYSYS simulation
system are summarized below.
This module closes with a brief overview of how HYSYS simulates a process material
stream that is multi-phase; that is, vapor and liquid coexisting in equilibrium within the stream.
You may need to consult the HYSYS Reference Manuals for further details on multi-phase
equilibrium in a process material stream.
Process Diagram
Ti
Pi
ni
Zi
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Assumptions
Ti
stream i
Pi
ni
Zi
1.
2.
3.
4.
5.
C-1
single phase
isothermal
no pressure drop
uniform and ideal mixing
no chemical reaction
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Mathematical Model
(1)
M i = mi ni
( 2)
i = mi Vi
( 3)
Mi =
nc
j =1
or 1 /
zi , j M j
( 4)
M j = molwt [ pure j ]
(5)
i = 1 / ( wi , j / j )
nc
(w
i, j
j =1
for j = 1, 2,
nc
nc
or
j =1
(6)
j = density [Ti , Pi , pure j ]
(7)
( y
j =1
or M i
i, j j
, nc
nc
j =1
ci , j or
for j = 1, 2,
, nc
wi , j = zi , j M j / M i
for j = 1, 2,
, nc
(8)
yi , j = wi , j / j i
for j = 1, 2,
, nc
(9)
ci , j = i zi , j M i
for j = 1, 2,
, nc
(10 )
ci, j = i wi , j
for j = 1, 2,
, nc
(11)
ni , j = ni zi , j
or ci , j V
for j = 1, 2,
, nc
(12 )
mi , j = mi wi , j
or ci, j V
for j = 1, 2,
, nc
(13 )
Vi , j = Vi yi , j
for j = 1, 2,
, nc
(14 )
H i = hmix Ti , Pi , Z i
(15 )
Ei = ni H i
# vars
10 nc
# eqns
9 nc
nc
DOF 1
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/Mj
C-2
nc
c
j =1
i, j
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Ti
Pi
is
is
the temperature of process stream i, K.

the pressure of process stream i, kPa.
ni
mi
Vi
is
is
is
the bulk molar flow rate of the process stream i, kgmol/h.

the bulk mass flow rate of the process stream i, kg/h.
the bulk volumetric flow rate of the process stream i, m3/h.
Mi
Mj
is
is
the bulk molecular weight of process stream i, kg/kgmol.

the molecular weight of pure component j, kg/kgmol.
i
j
is
is
the bulk mass density of process stream i, kg/m3.

the mass density of pure component j at Ti and Pi , kg/m3.
nc
is
the number of chemical components or compounds in the mixture.
zi, j
wi, j
yi, j
is
is
is
the bulk mole fraction of component j in process stream i, mol j/mol mix i.
the bulk mass fraction of component j in process stream i, mass j/mass mix i.
the bulk volume fraction of component j in process stream i, vol j/vol mix i.
ci , j
ci, j
is
is
the bulk molar concentration of component j in process stream i, kgmol/m3.

the bulk mass concentration of component j in process stream i, kg/m3.
ni, j
mi, j
Vi , j
is
is
is
the bulk molar flow rate of component j in process stream i, kgmol/h.

the bulk mass flow rate of component j in process stream i, kg/h.
the bulk volumetric flow rate of component j in process stream i, m3/h.
Hi
Ei
is
the bulk molar enthalpy of process stream i, kJ/kgmol.
is
the bulk energy or heat flow of process stream i, kJ/h.
Zi
Wi
Yi
is
the bulk mole fractions of all nc-components in stream i.
is
the bulk mass fractions of all nc-components in stream i.
is
the bulk volume fractions of all nc-components in stream i.
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Mathematical Algorithm A
mi , Vi , Wi , Yi
= streama Ti , Pi , ni , Z i
(11)
1.
ni , j
( 4)
2.
Mj
(6)
3.
( 3)
4.
Mi
ni zi , j
for j = 1, 2,
, nc
molwt [ pure j ]
for j = 1, 2,
, nc
density [Ti , Pi , pure j ]
for j = 1, 2,
, nc
nc
i, j
j =1
M j
(1)
(7)
(12 )
5.
mi
ni M i
6.
wi , j
zi , j M j / M i
for j = 1, 2,
, nc
7.
mi , j
mi wi , j
for j = 1, 2,
, nc
(5)
8.
1/
for j = 1, 2,
, nc
nc
(w
j =1
( 2)
9.
(8)
mi / i
i, j
/ j
Vi
10.
yi , j
(w
(13 )
11.
Vi , j
Vi yi , j
for j = 1, 2,
, nc
(9)
(10 )
12.
ci , j
i zi , j / M i
for j = 1, 2,
, nc
13.
ci, j
i wi , j
for j = 1, 2,
, nc
(14 )
14.
H i
hmix Ti , Pi , Z i
(15 )
15.
Ei
ni H i
i, j
/ j i
Mathematical Algorithm J
mi , Vi , Wi , Yi , ni , Zi
(11)
Beef, Inc.
= streamj Ti , Pi , ni ,1 , ni, 2 , ..., ni ,nc
1.
ni
ni,1 + ni ,2 + ... + ni,nc
2.
zi , j
ni, j / ni
3.
mi , Vi , Wi , Yi
for j = 1, 2,
, nc
streama Ti , Pi , ni , Zi
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Simulation Algorithms
If the process state of a material stream is fully defined by knowing its temperature,
pressure, total flow rate, and composition, then all of its unknown properties can be calculated, as
depicted in the HYSYS simulation algorithms below:
mi , Vi , Wi , Yi
streama Ti , Pi , ni , Zi
mi , Vi , Yi , Zi
streamb Ti , Pi , ni , Wi
mi , Vi , Wi , Zi
streamc Ti , Pi , ni , Yi
ni , Vi , Yi , Zi
streamd Ti , Pi , mi , Wi
ni , Vi , Wi , Yi
streame Ti , Pi , mi , Zi
ni , Vi , Wi , Zi
streamf Ti , Pi , mi , Yi
mi , ni , Wi , Zi
streamg Ti , Pi , Vi , Yi
mi , ni , Wi , Yi
streamh Ti , Pi , Vi , Zi
mi , ni , Yi , Zi
streami Ti , Pi , Vi , Wi
If the process state of a material stream is fully defined by knowing its temperature,
pressure, and component flow rates, then all of its unknown properties can be calculated, as
depicted in the HYSYS simulation algorithms below:
ni , mi , Vi , Zi , Wi , Yi
= streamj Ti , Pi , ni ,1 , ni, 2 , ..., ni ,nc
= streamk Ti , Pi , mi ,1 , mi , 2 , ..., mi,nc
= streaml Ti , Pi , Vi,1 , Vi , 2 , ..., Vi,nc
If the process state of a material stream is multi-phaseeither vapor-liquid or vaporliquid-liquid; that is, two or more distinct phases coexist in equilibrium, then three additional
HYSYS simulation algorithms exist to determine the streams unknown properties as outlined in
the remaining pages of this appendix.
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Vapor-Liquid Equilibrium
The above mathematical model for a process stream assumes its material is single
phaseeither all liquid or all vapor. At certain temperatures and pressures, the material in a
process stream can be multi-phaseeither vapor-liquid or vapor-liquid-liquid; that is, two or
more distinct phases can coexist in equilibrium. Our discussion here focuses on vapor-liquid
equilibrium (vle).
HYSYS indicates multi-phases through the vapor fraction of a process stream. Vapor
fraction ( Vf ) is the ratio of moles in the vapor phase over the total or bulk moles of the process
stream; that is, it is what fraction of the total exists in the vapor state. For example, a Vf = 0.4
implies that 40% of the total moles is vapor, while 60% is liquid. The vapor fractions range is:
0 Vf 1.
A calculated vapor fraction of zero indicates that the bulk material is all liquid. A calculated
vapor fraction of one implies that the bulk material is all vapor. A calculated value between zero
and one means a vapor and liquid are coexisting in equilibrium.
The vapor-liquid equilibrium for a multicomponent mixture is best illustrated by a
temperature-versus-composition (TXY) diagram for a binary or 2-component system. A general
representation of a TXY diagram is as follows:
Pressure =
130
a
Saturated
Vapor
Curve
120
Vapor
Region
Vf = 1
Tdp
Ti
Pi
Tbp
Vf = 0
Vapor-Liquid
Region
80
70
60
Liquid
Region
0.1
0.2
0.3
0.4
0.5
zi,j
xi,j
Saturated
0.6
0.7
Liquid
0.8
Curve
0.9
yi,j
Mole Fraction of Component j
For process stream i at a specified pressure of Pi and bulk composition of Zi , a typical condition
of vapor-liquid equilibrium at temperature Ti is represented by line segment LTV in the TXY
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diagram. The end points of this line are called the saturated-liquid and saturated-vapor points,
and they represent the compositions of the two phases in equilibrium: xi , j for the liquid phase,
yi, j for the vapor phase, and component j is the more volatile component in the binary system.
The vapor fraction for this equilibrium is given by line segment LT over LV , or in mathematical
terms, it is:
total balance :
ni = nSV + nSL
1.0 =
component j balance :
nSV
n
+ SL
ni
ni
1.0 = V f + L f
ni zi , j = nSV yi , j + nSL xi , j
zi , j = V f yi , j + (1 V f ) xi , j
vapor fraction ratio :
Vf =
for each j
for each j
zi , j xi , j
yi , j xi , j
The ratio for Vf in terms of mole fractions is called the reverse-lever rule, because the
contribution of the vapor phase at Point V is given by the line segment on the opposite side of
Point T. The Vf equation is gotten by algebraically combining the total and component balances.
In the TXY diagram, the vertical Path a b c d depicts what would happen to
process stream i if it were cooled at the specified pressure and bulk composition. Point a indicates
that stream i would be in the vapor region, while Point d indicates the liquid region. Point b
corresponds to a vapor fraction of one, and it is called the dew-point temperature Tdp . This point
is when the first drop of liquid would form while the vapor was cooled. Point c corresponds to a
vapor fraction of zero, and it is called the bubble-point temperature Tbp . This point is when the
first bubble of vapor would form while the liquid was heated. When the following is true about
the temperature of process stream i:
Tbp Ti Tdp ,
you know that vapor-liquid equilibrium exist in process stream i.
In HYSYS, you can specify the vapor fraction instead of the temperature or pressure of a
process stream. Three examples of vapor-liquid equilibrium (vle) calculations supported by
HYSYS are:
Tdp , Xi , Yi = vle Vf = 1.0, Pi , Zi

Tbp , Xi , Yi = vle Vf = 0.0, Pi , Zi
Teq , Xi , Yi = vle Vf = 0.6, Pi , Zi
where Teq is the equilibrium temperature of process stream i for the given vapor fraction. If you
were to specify Ti instead of Pi in the above three functional forms, you would be calculating the
dew-point pressure, bubble-point pressure, and equilibrium pressure, respectively, for process
stream i.
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When the material in process stream i is multi-phased, its bulk properties are related to
the saturated liquid and vapor properties through the reverse-lever rule, as was the case for the
bulk composition above. Some common bulk molar properties for a vapor-liquid equilibrium
(vle) system are given below.
Vi = V f VSV + (1 V f ) VSL
where
H i = V f H SV + (1 V f ) H SL
VSV = vmixSV Ti , Pi , Yi
H SV = hmixSV Ti , Pi , Yi
VSL = vmixSL Ti , Pi , X i
H SL = hmixSL Ti , Pi , X i
Ti
Pi
is
is

Vf
Lf
is
the molar vapor fraction of process stream i, nSV / ni .
is
the molar liquid fraction of process stream i, nSL / ni .
ni
nSV
nSL
is
is
is
the bulk molar flow rate of process stream i, kgmol/h.

the molar flow rate of the saturated vapor in stream i, kgmol/h.
the molar flow rate of the saturated liquid in stream i, kgmol/h.
nc
is
Zi
zi, j
is
is
the bulk mole fraction of component j in process stream i;

vector Z i means all elements zi,1 , zi, 2 , , zi ,nc .
Yi
yi, j
is
the satd vapor mole fractions of all nc-components in stream i.
is
the satd vapor mole fraction of component j in process stream i;

vector Yi means all elements yi,1 , yi , 2 , , yi,nc .
Xi
xi , j
is
the satd liquid mole fractions of all nc-components in stream i.
is
the satd liquid mole fraction of component j in process stream i;

vector Xi means all elements xi ,1 , xi, 2 , , xi ,nc .
is
the bulk molar volume of process stream i, m3/kgmol.
is
the molar volume of the saturated vapor in stream i, m3/kgmol.
is
the molar volume of the saturated liquid in stream i, m3/kgmol.
is
is
the molar enthalpy of the saturated vapor in stream i, kJ/kgmol.
is
the molar enthalpy of the saturated liquid in stream i, kJ/kgmol.
Vi
V
SL
VSV
Hi
HSV
HSL
The value of any bulk vle property must fall between the values for the saturated liquid and vapor
properties. If you expand the property view of a process stream, HYSYS will display its bulk,
saturated liquid, and saturated vapor properties for the vapor-liquid equilibrium that exists in that
process stream.
Beef, Inc.
C-8
7/29/98
Appendix D. Mixer Module

Description
A mixer operation is used to combine two process streams to form one process material
stream. A pipe tee is used to accomplish the mixing operation. The two inlet streams to the pipe
tee are usually of the same phase, either liquid or vapor mixtures. The pressure of the exit stream
from the pipe tee is at the lowest pressure of the two inlet streams. If the inlet streams behave as
ideal mixtures (i.e., no heat of mixing effects), the exit temperature will lie between the two inlet
temperatures. However, this temperature may be quite different than those of the inlet streams
when mixing effects are significant. The conceptual diagram for the mixer operation is given
below for a steady-state system. The system is the mixtures of chemical compounds (or
components) passing into, through, and from the pipe tee.
The mathematical model given below for the mixer operation balances the material and
energy flows of the system. This adiabatic unit operation occurs at steady state with no chemical
reaction, and the kinetic and potential energy changes are negligible. No shaft work exists with
this process operation. The independent set of equations contains the total and component
material balances, the three sets of composition equations, the energy balance, the molar
enthalpies of the three process streams, and the pressure relationship for the exit stream. The exit
pressure is set to the lowest pressure of the two inlet streams, in order to eliminate the potential of
back flow to the inlet streams. To solve this set of equations, (2nc+6) variables must be
specified, as indicated by the degrees-of-freedom analysis in the math model.
From this mathematical model, many mathematical algorithms can be derived for doing
process simulation calculations. These algorithms differ in their given (or design) variables and
their solution procedures. Two such algorithms are detailed belowknowing the process states
of two out of the three streams. The process state of a material stream is its temperature, pressure,
total flow rate, and composition. The process state of the third stream is calculated using the
solution procedure defined in a math algorithm. Other possible simulation algorithms supported
by the HYSYS software are summarized below.
Process Diagram
TF
PF
Assumptions
1.
2.
3.
4.
5.
6.
inlet F
nF
TE
ZF
Exit
PE
nE
TG
PG
continuous process
steady state
nelgect KE and PE changes
adiabatic
no shaft work
ZE
inlet G
nG
ZG
Beef, Inc.
D-1
7/29/98

Mathematical Model
(1)
nF + nG nE = 0
(2)
nF , j + nG , j nE , j = 0
for j = 1, 2,
, nc
(3)
nF , j = n F z F , j
for j = 1, 2,
, nc
(4)
nG, j = nG zG, j
for j = 1, 2,
, nc
(5)
nE , j = n E z E , j
for j = 1, 2,
, nc
(6)
nF H F + nG HG nE H E = 0
(7)
H F = hmix TF , PF , Z F
(8)
HG = hmix TG , PG , ZG
(9)
H E = hmix TE , PE , Z E
( 10 )
PE = min PF , PG
# vars = 6 nc + 12
# eqns = 4 nc +
DOF = 2 nc +
Ti
Pi
ni
ni , j
is
is
is
is

nc
is
is

is

vector Z i means all elements zi ,1 , zi , 2 , , zi ,nc .
Hi
is
is
a short notation for Ti , Pi , ni , and Zi of process stream i;

that is, the process state of stream i.
Zi
zi , j
Beef, Inc.
D-2
7/29/98
E
= mixera F , G
(5)
1.
2.
3.
4.
5.
nE
nF , j
nG, j
nE , j
zE, j
nF + nG
z F , j nF
zG , j nG
nF , j + nG , j
nE , j / nE
( 7)
6.
HF
hmix TF , PF , Z F
(8)
7.
HG
hmix TG , PG , ZG
(6)
8.
HE
(10 )
9.
10.
(1)
( 3)
(4)
(2)
dH
, nc
for j = 1, 2,
, nc
for j = 1, 2,
, nc
for j = 1, 2,
, nc
nF + HG nG / nE
min PF , PG
PE
Iterate on TE in
b g H
until f bT g = 0
f TE
(9)
for j = 1, 2,
hmix TE , PE , Z E
Mathematical Algorithm B
G
= mixerb E , F
(4)
1.
2.
3.
4.
5.
nG
nF , j
nE , j
nG, j
zG , j
nE nF
z F , j nF
z E , j nE
nE , j nF , j
nG , j / nG
( 7)
6.
HF
hmix TF , PF , Z F
(9)
7.
HE
hmix TE , PE , Z E
(6)
8.
HG
(10 )
9.
10.
(1)
( 3)
( 5)
(2)
(8)
dn
for j = 1, 2,
, nc
for j = 1, 2,
, nc
for j = 1, 2,
, nc
for j = 1, 2,
, nc
H E nF H F / nG
PG min PE , PF
Iterate on TG in
b g H
until f bT g = 0
f TG
hmix TG , PG , ZG
Beef, Inc.
D-3
7/29/98

If the process states of any two streams are fully defined (i.e., the temperature, pressure,
flow rate, and composition of each stream are known), then the conditions of the third stream can be
calculated, as depicted in the HYSYS simulation algorithms below:
TE , PE , nE , Z E
= mixera TF , PF , nF , Z F , TG , PG , nG , ZG
TG , PG , nG , ZG
= mixerb TF , PF , nF , Z F , TE , PE , nE , Z E
TF , PF , nF , Z F
= mixerc TG , PG , nG , ZG , TE , PE , nE , Z E
Many more algorithms can be used to solve the above mathematical model for a mixer
unit operation. The degrees-of-freedom shows that (2nc+6) variables must be specified to solve
the equations in the math model. Any combination of two temperatures, two pressures, two flow
rates, and two compositions between the three process streams will solve the mixer module in
HYSYS. Below are two examples.
Beef, Inc.
TE , PE , nG , ZG
= mixerd TF , PF , nF , Z F , TG , PG , nE , Z E
TE , PG , nF , Z F
= mixere TF , PF , nG , ZG , TG , PE , nE , Z E
D-4
7/29/98
Appendix E. Pump Module

Description
A pump operation is used to increase the pressure of a liquid material stream that is
flowing from one process unit to another in a process flowsheet. Power (energy/time) in the form
of electric energy drives a motor coupled to a steel drive shaft. The drive shaft connected to
impellers imparts energy to the liquid in order to increase its pressure. The temperature of the
liquid increases slightly, because of the effects of fluid friction. The conceptual diagram for the
pump operation is given below for a steady-state system. The system is a liquid mixture of
chemical compounds (or components) passing into, through, and from the pump.
The mathematical model given below for the pump operation balances the material and
reaction, and the kinetic and potential energy changes are negligible. The liquid is considered
incompressible (i.e., at constant density); a good assumption for any liquid well removed from its
critical point. The independent set of equations in the math model contains the total and
component material balances, the energy balance, the molar enthalpies of the two process
streams, the adiabatic efficiency, the ideal work based on the mechanical-energy balance for a
frictionless fluid, the pressure change, and the inlet mixture density and molecular weight. The
adiabatic efficiency relates the ideal to the actual work and has a typical value of 75% for most
liquids. To solve this set of equations, (nc+5) variables must be specified, as indicated by the
degrees-of-freedom analysis in the math model.
their solution procedures. Two such math algorithms are detailed belowfor knowing the
process state of the inlet stream and two additional variables. The unknown variables are
calculated using the solution procedure defined in a math algorithm. The process state of a
material stream is its temperature, pressure, total flow rate, and composition. Other possible
simulation algorithms supported by the HYSYS software are summarized below.
Process Diagram
TE
WA
TI
PI
nI
Inlet
Assumptions
Exit
pump
PE
nE
ZE
1.
2.
3.
4.
5.
6.
continuous process
steady state
neglect KE and PE changes
adiabatic
incompressible liquid
ZI
Beef, Inc.
E-1
7/29/98

Mathematical Model
(1)
nI nE = 0
(2)
nI z I , j nE z E, j = 0
( 3)
n I H I n E H E + WA = 0
(4)
H I = hmix TI , PI , Z I
( 5)
(6)
= 100 WI / WA
(7)
WI = P n I M I / I
(8)
P = PE PI
(9)
I = liqden TI , PI , Z I
( 10 )
M I = molwt Z I
for j = 1, 2,
, nc
# vars = 2 nc + 14
# eqns =
nc +
DOF = 1 nc +
Ti
Pi
ni
is
is
is

nc
is
is

is

Hi
WA
is
is
is
the actual work or power of the pump, kJ/h.

the adiabatic efficiency of the pump (0 to 100), percent.
WI
P
Mi
is
is
is
is
the ideal work or power of the pump ( = 100%), kJ/h.

the pressure drop between the exit and inlet streams, kPa.
the molecular weight of process stream i, kg/kgmol.
the liquid density of process stream i, kg/m3.
Zi
zi , j
Beef, Inc.
E-2
7/29/98

= pumpa TI , PI , n I , Z I , , PE
TE , P, n E , Z E , WA
(1 )
1.
nE
nI
(2)
2.
z E, j
z I, j
(8)
3.
PE PI
(9)
4.
liqden TI , PI , Z I
(10 )
5.
MI
molwt Z I
( 7)
6.
WI
P n I M I / I
(6)
7.
WA
100 WI /
(4)
8.
HI
hmix TI , PI , Z I
( 3)
9.
HE
dn H
10.
, nc
+ WA / n E
hmix TE , PE , Z E
Iterate on TE in
b g H
until f bT g = 0
f TE
( 5)
for j = 1, 2,
Mathematical Algorithm E
P, n E , Z E , WA ,
Beef, Inc.
= pumpe TI , PI , n I , Z I , TE , PE
( 1)
1.
nE
nI
(2)
2.
z E, j
z I, j
(9)
3.
liqden TI , PI , Z I
(10 )
4.
MI
molwt Z I
(4)
5.
HI
hmix TI , PI , Z I
( 5)
6.
HE
hmix TE , PE , Z E
( 3)
7.
WA
nE H E nI H I
(8)
8.
PE PI
( 7)
9.
WI
P n I M I / I
(6)
10.
100 WI / WA
for j = 1, 2,
E-3
, nc
7/29/98

If the process state of the inlet stream is fully defined (i.e., TI , PI , n I , Z I are known),
only two additional variables are required to calculate all unknowns, as depicited in the HYSYS
simulation algorithms below:
TE , P, n E , Z E , WA
pumpa TI , PI , n I , Z I , , PE
TE , PE , n E , Z E , WA
pumpb TI , PI , n I , Z I , , P
TE , PE , n E , Z E , P
pumpc TI , PI , n I , Z I , , WA
PE , n E , Z E , WA ,
pumpd TI , PI , n I , Z I , TE , P
P, n E , Z E , WA ,
pumpe TI , PI , n I , Z I , TE , PE
TE , PE , n E , Z E ,
pumpf TI , PI , n I , Z I , WA , P
TE , P, n E , Z E ,
pumpg TI , PI , n I , Z I , WA , PE
If the process state of the exit stream is fully defined (i.e., TE , PE , n E , Z E are known),
only two additional variables are required to calculate all unknowns, as depicited in the HYSYS
simulation algorithms below:
Beef, Inc.
TI , PI , n I , Z I , WA
pumph TE , PE , n E , Z E , , P
TI , P, n I , Z I , WA
pumpi TE , PE , n E , Z E , , PI
TI , PI , n I , Z I , P
pumpj TE , PE , n E , Z E , , WA
PI , n I , Z I , WA ,
pumpk TE , PE , n E , Z E , TI , P
P, n I , Z I , WA ,
pumpl TE , PE , n E , Z E , TI , PI
TI , PI , n I , Z I ,
pumpm TE , PE , n E , Z E , WA , P
TI , P, n I , Z I ,
pumpn TE , PE , n E , Z E , WA , PI
E-4
7/29/98
Appendix F. Valve Module

Description
A valve operation is used to decrease the pressure of a process material stream. The
process simulation of a valve can determine the process state of the exit stream given the process
state of the inlet stream or determine the process state of the inlet stream given the process state
of the exit stream. The process state of a material stream is its temperature, pressure, total flow
rate, and composition. The conceptual diagram for the valve operation is given below for a
steady-state system. The system is the mixture of chemical compounds (or components) passing
into, through, and from the valve.
The mathematical model given below for the valve operation balances the material and
reaction, and the kinetic and potential energy changes are negligible. The independent set of
equations in the math model contains the total and component material balances, the energy
balance, the molar enthalpies of the two process streams, and the definition of pressure drop. To
solve these equations, (nc+4) variables must be specified, as indicated by the degrees-of-freedom
analysis in the math model.
their solution procedures. Two such math algorithms are shown belowone for the process state
of the inlet stream given, and the other for the exit stream given. The unknown variables are
calculated using the solution procedure defined in a math algorithm. Again, the process state of a
material stream is its temperature, pressure, total flow rate, and composition. Other possible
Process Diagram
TI
PI
Inlet
valve
Assumptions
TE
Exit
PE
nI
nE
ZI
ZE
Beef, Inc.
F-1
1.
2.
3.
4.
5.
6.
continuous process
steady state
adiabatic
no shaft work
7/29/98

Mathematical Model
(1)
n I nE = 0
(2)
nI z I , j nE z E , j = 0
( 3)
n I H I nE H E = 0
(4)
( 5)
(6)
P = PI PE
for j = 1, 2,
, nc
# vars = 2 nc + 9
# eqns =
nc + 5
DOF = 1 nc + 4
Beef, Inc.
Ti
Pi
ni
is
is
is

nc
Zi
zi , j
is
is

is

Hi
P
is
is

is

F-2
7/29/98

E
= valvea I , P
(1)
1.
nE
nI
(2)
2.
zE, j
zI, j
(6)
3.
PE
PI P
(4)
4.
HI
hmix TI , PI , Z I
( 3)
5.
HE
HI
6.
Iterate on TE in
b g H
until f bT g = 0
f TE
(5)
for j = 1, 2,
, nc
hmix TE , PE , Z E
I
= valved E , P
(1)
1.
nI
nE
(2)
2.
zI, j
zE, j
(6)
3.
PI
PE + P
(5)
4.
HE
hmix TE , PE , Z E
( 3)
5.
HI
HE
6.
Iterate on TI in
(4)
for j = 1, 2,
b g H hmix T , P , Z
until f bT g = 0
f TI
, nc
Beef, Inc.
F-3
7/29/98

If the process state of the inlet stream is fully defined (i.e., the temperature, pressure, flow
rate and composition are known), only one additional variable is required to calculate all unknowns,
as depicted in the HYSYS simulation algorithms below:
TE , PE , nE , Z E
valvea TI , PI , nI , Z I , P
TE , P, nE , Z E
valveb TI , PI , nI , Z I , PE
PE , nE , Z E , P
valvec TI , PI , nI , Z I , TE
If the process state of the exit stream is fully defined (i.e., the temperature, pressure, flow
rate and composition are known), only one additional variable is required to calculate all unknowns,
as depicted in the HYSYS simulation algorithms below:
Beef, Inc.
TI , PI , nI , Z I
valved TE , PE , nE , Z E , P
TI , P, nI , Z I
valvee TE , PE , nE , Z E , PI
PI , nI , Z I , P
valvef TE , PE , nE , Z E , TI
F-4
7/29/98
Appendix G. Heater/Cooler Module

Description
A heater or cooler operation is used to increase or decrease the energy content of a
process material stream. A heater adds energy to the material in a process stream to increase its
temperature. A cooler takes away energy from the material in a process stream to decrease its
temperature. Neither unit operation affects the stream bulk and component flow rates or
composition. The energy added or subtracted from the stream by a heater or cooler, respectively,
is known as the duty of that unit operation. A cooler is essentially a heater with a negative duty
value, and vice versa. The conceptual diagram for the heater/cooler operation is given below for
a steady-state system. The system is the mixture of chemical compounds (or components) passing
into, through, and from the heater or cooler.
The mathematical model given below for the heating operation balances the material and
energy flows of the system. This model also represents the cooling of a process stream if the duty
is a negative number. The unit operation occurs at steady state with no chemical reaction, and the
kinetic and potential energy changes are negligible. The independent set of equations in the math
model contains the total and component material balances, the energy balance, the molar
enthalpies of two process streams, and the definition of pressure drop. To solve these equations,
(nc+5) variables must be specified, as indicated by the degrees-of-freedom analysis in the math
model.
their solution procedures. Two such math algorithms are shown belowone for the process state
of the inlet stream and exit temperature and pressure given, and one for the process state of the
inlet stream, duty and exit pressure given. The unknown variables are calculated using the
solution procedure defined in a math algorithm. The process state of a material stream is its
temperature, pressure, total flow rate, and composition. Other possible simulation algorithms
supported by the HYSYS software are summarized below.
Process Diagram
Q
TI
PI
nI
ZI
Beef, Inc.
Assumptions
Inlet
TE
Exit
heater
PE
nE
ZE
G-1
1.
2.
3.
4.
5.
continuous process
steady state
no shaft work
7/29/98
Mathematical Model
(1)
n I nE = 0
(2)
nI z I , j nE z E , j = 0
( 3)
n I H I nE H E + Q = 0
(4)
( 5)
(6)
P = PE PI
for j = 1, 2,
, nc
# vars = 2 nc + 10
# eqns =
nc +
DOF = 1 nc +
Ti
Pi
ni
is
is
is

nc
is
is

is

Zi
zi , j
Beef, Inc.
Q
Hi
P
is
the energy duty of the heater or cooler, kJ/h.
is
is

is

G-2
7/29/98
P, nE , Z E , Q
= heatera I , TE , PE
(1)
1.
nE
nI
(2)
2.
zE, j
zI, j
(6)
3.
PE PI
(4)
4.
HI
hmix TI , PI , Z I
(5)
5.
HE
hmix TE , PE , Z E
(3)
6.
nE H E n I H I
for j = 1, 2,
, nc
for j = 1, 2,
, nc
TE , P, nE , Z E
= heatere I , PE , Q
(1)
1.
nE
nI
(2)
2.
zE, j
zI, j
(6)
3.
PE PI
(4)
4.
HI
hmix TI , PI , Z I
( 3)
5.
HE
d n H + Qi / n
6.
Iterate on TE in
(5)
b g H
until f bT g = 0
f TE
hmix TE , PE , Z E
Beef, Inc.
G-3
7/29/98

If the process state of the inlet stream is fully defined (i.e., the temperature, pressure, flow
rate and composition are known), only two additional variable are required to calculate all
unknowns, as depicted in the HYSYS simulation algorithms below:
P, nE , Z E , Q
heatera TI , PI , nI , Z I , TE , PE
TE , PE , nE , Z E
heaterb TI , PI , nI , Z I , P, Q
PE , nE , Z E , Q
heaterc TI , PI , nI , Z I , P, TE
PE , nE , Z E , P
heaterd TI , PI , nI , Z I , Q, TE
TE , nE , Z E , P
heatere TI , PI , nI , Z I , Q, PE
If the process state of the exit stream is fully defined (i.e., the temperature, pressure, flow
rate and composition are known), only two additional variable are required to calculate all
Beef, Inc.
P, nI , Z I , Q
heaterf TE , PE , nE , Z E , TI , PI
TI , PI , nI , Z I
heaterg TE , PE , nE , Z E , P, Q
PI , nI , Z I , Q
heaterh TE , PE , nE , Z E , P, TI
PI , nI , Z I , P
heateri TE , PE , nE , Z E , Q, TI
TI , nI , Z I , P
heaterj TE , PE , nE , Z E , Q, PI
G-4
7/29/98
Appendix H. Chemical Reactor Module

Description
HYSYS supports the process simulation of many different types of chemical reactors.
Our focus here is on the conversion-based model for a reactor. A chemical reactor operation
takes the reactants of a feed stream and converts them, usually in the presence of a catalyst, to the
desired product, which appears in the effluent stream. Because most reactions do not go to
completion, the effluent stream will usually contain some reactants and inert materials from the
feed stream as well as by-products and waste materials. The conceptual diagram for the reactor
operation is given below for a steady-state system. The system is the mixture of chemical
compounds (or components) passing into, through, and from the reactor.
The mathematical model given below for the reactor operation balances the material and
energy flows of the system. It is illustrated for a specific reaction stoichoimetry the production
of styrene monomer from toluene and methanol with the by-product formation of ethylbenzene.
This adiabatic unit operation occurs at steady state with no shaft work, and the kinetic and
potential energy changes are negligible. The independent set of equations in the math model
contains the total and component material balances, the two sets of composition equations, the
reaction conversion and yield equations, the energy balance, the molar enthalpies of the two
process streams, and the definition of pressure drop. To solve these equations, (nc+6) variables
must be specified, as indicated by the degrees-of-freedom analysis in the math model.
their solution procedures. One such algorithm is shown below with the process state of the feed
material stream, reaction conversion and yield, and pressure drop as the specified variables. The
process state of a material stream is its temperature, pressure, total flow rate, and composition.
Other possible simulation algorithms supported by the HYSYS software are summarized below.
Process Diagram
Assumptions
PF
1.
2.
3.
4.
5.
TE
TF
Feed
nF
Reactor
Effluent
PE
nE
ZE
ZF
continuous process
steady state
adiabatic
no shaft work
Chemical Reaction Stoichoimetry

Rxn 1:
Rxn 2:
Beef, Inc.
C7H8
CH3OH
C8H8
H 2O
H2
toluene
methanol
styrene
water
hydrogen
(TL)
(ME)
(SM)
(WA)
(H2)
C7H8
CH3OH
C8H10
H 2O
toluene
methanol
ethylbenzene
water
(TL)
(ME)
(EB)
(WA)
H-1
7/29/98
Mathematical Model
(1)
nF nE + R1 = 0
( 2)
nF ,TL nE ,TL R1 R2 = 0
( 3)
nF , ME nE , ME R1 R2 = 0
( 4)
nF , SM nE , SM + R1
(5)
nF , EB nE , EB +
(6)
nF ,WA nE ,WA + R1 + R2 = 0
(7)
nF , H 2 nE , H 2 + R1
=0
R2 = 0
=0
(8)
nF , j = nF Z F , j
for j = 1, 2,
, nc
(9)
nE , j = nE Z E , j
for j = 1, 2,
, nc
(10 )
TL = ( nF ,TL nE ,TL ) / nF ,TL
(11)
YSM = nE , SM / ( nF ,TL nE ,TL )
(12 )
nF H F nE H E = 0
(13 )
(14 )
(15 )
P = PF PE
# vars
4 nc
13
# eqns
3 nc
nc
DOF 1
Ti
Pi
ni
ni , j
Beef, Inc.
is
is
is
is

H-2
7/29/98

is
is

is

YSM
is
is
is
is
the extent of the styrene monomer reaction (i.e., Rxn 1), 1/h.
the extent of the ethylbenzene reaction (i.e., Rxn 2), 1/h.
the molar conversion of toluene (moles of toluene reacted per moles of toluene fed).
the molar yield of styrene (moles of styrene formed per moles of toluene reacted).
Hi
P
is
is

is

nc
Zi
zi , j
R1
R2
TL
E
= reactora F , TL , YSM , P
(8)
1.
nF , j
(10 )
2.
nE ,TL
nF ,TL nE ,TL TL
(11)
3.
nE ,SM
YSM nF ,TL nE ,TL
(4)
4.
R1
nE ,SM nF ,SM
( 5)
5.
R2
nE , EB nF , EB
(1)
6.
nE
R1 + nF
(2)
7.
nE ,TL
nF ,TL R1 R2
( 3)
8.
nE , ME
nF , ME R1 R2
( 7)
9.
nE , H 2
nF , H 2 + R1
(6)
10.
nE ,WA
nF ,WA + R1 + R2
nF x F , j
(9)
11.
zE, j
n E , j / nE
12.
PE
PF P
(13 )
13.
HF
hmix TF , PF , Z F
(12 )
14.
HE
n F H F / nE
15.
Iterate on TE in
b g H
until f bT g = 0
f TE
, nc
for j = 1, 2,
, nc
(15 )
(14 )
for j = 1, 2,
hmix TE , PE , Z E
Beef, Inc.
H-3
7/29/98

If the process state of the feed stream is fully defined (i.e., the temperature, pressure, flow
rate and composition are known), only three additional variables plus the reaction stoichoimetries
are required to calculate all unknowns, as depicted in the HYSYS simulation algorithms below:
TE , PE , nE , Z E
= reactora TF , PF , nF , Z F , TL , YSM , P
TE , P, nE , Z E
= reactorb TF , PF , nF , Z F , TL , YSM , PE
HYSYS can not do back calculations for the conversion reactor. Therefore, the only variation on
the simulation algorithms that works in HYSYS is specifying either the effluent pressure or the
pressure drop.
In HYSYS, the stoichoimetry of each reaction and its associated molar conversion are
specified in a reaction set of the Fluid Package. You must define a reaction set for each chemical
reaction that occurs in the reactor.
Beef, Inc.
H-4
7/29/98
Appendix I. Two-Phase Separator Module

Description
A two-phase separator operation is used to separate a feed process stream into two
material streams according to phase. A vapor-liquid equilibrium is reached in the vessel at a
certain temperature and pressure. When the feed pressure is higher than the vessel pressure, a
flash operation occurs in the vessel producing the two phases; otherwise, withdrawing heat from
the feed stream produces the two phases. The two phases are then separated into a saturated
vapor stream and a saturated liquid stream. The conceptual diagram for the two-phase separation
operation is given below for a steady-state system. The system is the mixture of chemical
compounds (or components) passing into, through, and from the two-phase separator.
The mathematical model given below for the two-phase separation balances the material
and energy flows of the system. This unit operation occurs at steady state with no chemical
reaction and shaft work, and the kinetic and potential energy changes are negligible. The
independent set of equations contains the total material and energy balances, the vapor-liquid
equilibrium function (vle), the relationships between vapor fraction and flow rates, the
relationships between the outlet temperatures and pressures, the molar enthalpies of the three
process streams, and the definition of pressure change. To solve these equations, (nc+5) variables
their solution procedures. One such algorithm is shown below for the process state of the feed
stream given. The unknown variables are calculated using the solution procedure defined in a
math algorithm. The process state of a material stream is its temperature, pressure, total flow rate,
and composition. Other possible simulation algorithms supported by the HYSYS software are
summarized below.
Process Diagram
Assumptions
1.
2.
3.
4.
5.
TV
PV
Vapor
nV
TF
PF
Feed
nF
ZF
ZV
satd vapor
continuous process
steady state
no shaft work
satd liquid
Liquid
TL
PL
nL
ZL
Beef, Inc.
I-1
7/29/98

Mathematical Model
( 1)
nF nV nL = 0
(2)
nF H F nV HV nL H L + Q = 0
( 3)
Vf , YV , X L = vle TV , PV , Z F
(4)
Vf = nV / nF
( 5)
TL = TV
(6)
PL = PV
(7)
(8)
HV = hmix TV , PV , YV
(9)
H L = hmix TL , PL , X L
( 10 )
P = PF PV
# vars = 3 nc + 17
# eqns = 2 nc + 12
DOF = 1 nc +
Ti
Pi
ni
is
is
is

the molar flow rate of process stream i, kgmol/h.
nc
is
is

is

Yi
Xi
is
the vapor mole fractions of all nc-components in stream i.
is
the liquid mole fractions of all nc-components in stream i.
Vf
is
is
the molar vapor fraction of the vapor-liquid equilibrium.

the energy duty of the two-phase separator, kJ/h.
is
is
the molar enthalpy of process stream i, kJ/kgmol.

is
a short notation for Ti , Pi , ni , and composition of process stream i;

Zi
zi , j
Q
Hi
P
Beef, Inc.
I-2
7/29/98

PV , nV , YV , L , Q
= sepa F , P, TV
(10 )
1.
PV
( 3)
2.
Vf , YV , X L
(4)
3.
nV
V f nF
(1)
4.
nL
nF nV
( 5)
5.
TL
TV
(6)
6.
PL
PV
( 7)
7.
HF
hmix TF , PF , Z F
(8)
8.
HV
hmix TV , PV , YV
(9)
9.
HL
hmix TL , PL , X L
(2)
10.
nV HV + n L H L nF H F
PF P
vle TV , PV , Z F

rate and composition are known), only two additional variables are required to calculate all
PV , nV , YV , L , Q
sepa F , P, TV
P, nV , YV , L , Q
sepb F , PV , TV
TV , PV , nV , YV , L
sepc F , P, Q
TV , nV , YV , L , P
sepd F , PV , Q
HYSYS can also back calculate for the feed stream conditions given certain information about the
exit streams and the unit operation. Because of the nature of the vapor-liquid equilibrium, backcalculation requires one more given variable than the forward calculation. So to back-calculate,
(nc+6) variables must be specified. These variables are two of the three total flow rates, one exit
composition, one exit temperature or pressure, the pressure drop, and the duty of the two-phase
separator.
Beef, Inc.
I-3
7/29/98
Appendix J. Three-Phase Separator Module

Description
A three-phase separator operation is used to separate a feed process stream into three
material streams according to phase. A vapor-liquid-liquid equilibrium is reached in the vessel at
a certain temperature and pressure. When the feed pressure is higher than the vessel pressure, a
flash operation occurs in the vessel producing the three phases; otherwise, withdrawing heat from
the feed stream produces the three phases. The three phases are then separated into a vapor
stream, a light-liquid (organic) stream and a heavy-liquid (aqueous) stream. The conceptual
diagram for the three-phase separation operation is given below for a steady-state system. The
system is the mixture of chemical compounds (or components) passing into, through, and from the
three-phase separator.
The mathematical model given below for the three-phase separation balances the material
and energy flows of the system. This unit operation occurs at steady state with no chemical
reaction and shaft work, and the kinetic and potential energy changes are negligible. The
independent set of equations contains the total material and energy balances, the vapor-liquidliquid equilibrium function (vlle), the relationships between phase fractions and flow rates, the
relationships between the outlet temperatures and pressures, the molar enthalpies of the four
process streams, and the definition of pressure change. To solve these equations, (nc+5) variables
their solution procedures. One such algorithm is shown below for the process state of the feed
stream given. The unknown variables are calculated using the solution procedure defined in a
math algorithm. The process state of a material stream is its temperature, pressure, total flow rate,
and composition. Other possible simulation algorithms supported by the HYSYS software are
summarized below.
Process Diagram
Assumptions
1.
2.
3.
4.
5.
TV
Vapor
PV
nV
TF
PF
nF
ZV
vapor
Feed
ZF
organic
aqueous
Heavy
Light
TH
TL
PL
nL
continuous process
steady state
no shaft work
ZL
PH
nH
ZH
Beef, Inc.
J-1
7/29/98

Mathematical Model
(1)
nF nV nL nH = 0
(2)
nF H F nV HV nL H L nH H H + Q = 0
(3)
Vf , L fL , YV , X L , X H = vlle TV , PV , Z F
(4)
Vf = nV / nF
(5)
L fL = nL / nF
(6)
TL = TH = TV
(7)
PL = PH = PV
(8)
(9)
HV = hmix TV , PV , YV
( 10 )
H L = hmix TL , PL , X L
( 11 )
H H = hmix TH , PH , X H
( 12 )
P = PF PV
# vars = 4 nc + 22
# eqns = 3 nc + 17
DOF = 1 nc +
Ti
Pi
ni
is
is
is

the molar flow rate of process stream i, kgmol/h.
nc
is
is

is

Yi
Xi
is
the vapor mole fractions of all nc-components in stream i.
is
the liquid mole fractions of all nc-components in stream i.
Vf
L fL
Q
Hi
P
is
is
is
the molar vapor fraction of the vapor-liquid-liquid (vll) equilibrium.

the molar light-liquid fraction of the vll equilibrium.
the energy duty of the two-phase separator, kJ/h.
is
is

is

Zi
zi , j
Beef, Inc.
J-2
7/29/98

PV , nV , YV , L , H , Q
= sepa F , P, TV
(12 )
1.
PV
( 3)
2.
Vf , L fL , YV , X L , X H
(4)
3.
nV
nF V f
( 5)
4.
nL
nF L fL
(1)
5.
nH
nF nV nL
(6)
6.
TL , TH
TV
( 7)
7.
PL , PH
PV
(8)
8.
HF
hmix TF , PF , Z F
(9)
9.
HV
hmix TV , PV , YV
(10 )
10.
HL
hmix TL , PL , X L
(11)
11.
HH
hmix TH , PH , X H
(2)
12.
nV HV + nL H L + nH H H nF H F
PF P
vlle TV , PV , Z F

rate and composition are known), only two additional variables are required to calculate all
PV , nV , YV , L , H , Q
sepa F , P, TV
P, nV , YV , L , H , Q
sepb F , PV , TV
TV , PV , nV , YV , L , H
sepc F , P, Q
TV , nV , YV , L , H , P
sepd F , PV , Q
HYSYS can also back calculate for the feed stream conditions given certain information about the
exit streams and the unit operation. Because of the nature of the vapor-liquid-liquid equilibrium,
back-calculation requires one more given variable than the forward calculation. So to backcalculate, (nc+6) variables must be specified. These variables are three of the four total flow
rates, one exit composition, one exit temperature or pressure, the pressure drop, and the duty of
the three-phase separator.
Beef, Inc.
J-3
7/29/98
Appendix K. Component Splitter Module

Description
A component splitter operation is used to approximate the separation of a material feed
stream into a product and bottoms streams; that is, it is the simplest model that one can use for a
separation operation. The component splitter solves for the process state of the two exit streams
given the process state of the feed stream and the fractional split of each feed component that
goes into the product stream. The process state of a material stream is its temperature, pressure,
total flow rate, and composition. The conceptual diagram for the component splitter operation is
given below for a steady-state system. The system is the mixture of chemical compounds (or
components) passing into, through, and from the component splitter.
The mathematical model given below for the component splitter operation balances the
material and energy flows of the system. This unit operation occurs at steady state with no
chemical reaction, and the kinetic and potential energy changes are negligible. The independent
set of equations in the math model contains the total and component material balances, the
component composition equations, the product mixture equation, the component fractional splits,
the energy balance, the molar enthalpies of the three process streams, and the vapor fractions of
the two exit streams. To solve these equations, (2nc+7) variables must be specified, as indicated
by the degrees-of-freedom analysis in the math model.
their solution procedures. One such math algorithm is shown belowwhere the process state
of the feed stream, the overhead split fractions, and the temperature and pressure of the
two exit streams are given. The unknown variables are calculated using the solution procedure
defined in a math algorithm. Again, the process state of a material stream is its temperature,
pressure, total flow rate, and composition. Other possible simulation algorithms supported by the
HYSYS software are summarized below.
Process Diagram
Assumptions
TP
PP
TF
PF
Feed
component
splitter
Product
XP
nF
ZF
nP
Bottoms
1.
2.
3.
4.
5.
continuous process
steady state
no shaft work
TB
PB
nB
XB
Beef, Inc.
K-1
7/29/98

Mathematical Model
( 1)
nF nP n B = 0
(2)
n F , j n P , j n B, j = 0
for j = 1, 2,
, nc
(3)
nF , j = nF z F , j
for j = 1, 2,
, nc
(4)
nP , j = nP x P , j
for j = 1, 2,
, nc
(5)
n B, j = n B x B, j
for j = 1, 2,
, nc
(6)
nP = nP , j
for j = 1, 2,
, nc
nc
j =1
(7)
f j = nP , j / nF , j
(8)
nF H F nP H P n B H B + Q = 0
(9)
( 10 )
H P = hmix TP , PP , X P
( 11 )
H B = hmix TB , PB , X B
( 12 )
Vf , P = vfrac TP , PP , X P
( 13 )
Vf , B = vfrac TB , PB , X B
# vars = 7 nc + 15
# eqns = 5 nc +
= 2 nc +
DOF
Ti
Pi
ni
ni , j
is
is
is
is

nc
zi , j
is
is

vector Z i means all elements zi ,1 , zi , 2 , , zi ,nc for stream i.
xi , j
is
the liquid mole fraction of component j in process stream i;

vector Xi means all elements xi ,1 , xi , 2 , , xi ,nc for stream i.
fj
is
the fraction of component j in the feed that goes to the product stream;
vector f means all elements f1 , f2 , , fnc for the nc-components.
Hi
Q
V f ,i
is
is
is

the energy duty of the component splitter, kJ/h.
the molar vapor fraction of the phase equilibrium in process stream i.
is

Beef, Inc.
K-2
7/29/98

nP , X P , n B , X B , Q
= splittera F , f , TP , PP , TB , PB
( 3)
1.
nF , j
nF z F , j
for j = 1, 2,
, nc
( 7)
2.
nP , j
f j nF , j
for j = 1, 2,
, nc
(2)
3.
n B, j
n F , j nP , j
for j = 1, 2,
, nc
(6)
4.
nP
nc
n
j =1
P, j
(1)
5.
nB
n F nP
(4)
6.
x P, j
nP, j / nP
for j = 1, 2,
, nc
( 5)
7.
x B, j
n B, j / n B
for j = 1, 2,
, nc
(9)
8.
HF
hmix TF , PF , Z F
(10 )
9.
HP
hmix TP , PP , X P
(11)
10.
HB
hmix TB , PB , X B
(8)
11.
n P H P + n B H B nF H F
(12 )
12.
Vf , P
vfrac TP , PP , X P
(13 )
13.
Vf , B
vfrac TB , PB , X B

rate and composition are known) and the component fractional splits are given, only four additional
variables are required to calculate all unknowns, as depicted in the HYSYS simulation algorithms
below:
nP , X P , n B , X B , Vf , P , Vf , B , Q
splittera F , f , TP , PP , TB , PB
nP , X P , nB , X B , TP , TB , Q
splitterb F , f , PP , Vf , P , PB , Vf , B
nP , X P , nB , X B , PP , PB , Q
splitterc F , f , TP , Vf , P , TB , Vf , B
nP , X P , nB , X B , TP , Vf , P , Vf , B
splitterd F , f , Q, PP , TB , PB
These are but a few of the many simulation algorithms for this unit operation. You can select the
four additional variables for among the exit temperatures, exit pressures, exit vapor fractions, and
the heat duty. HYSYS can not do back calculations on the component splitter. Thus, you must
always specify the process state of the feed stream.
Beef, Inc.
K-3
7/29/98
Appendix L. Simple Distillation Module

Description
A simple distillation operation is used to separate a feed process stream into two product
streamsthe distillate and bottoms materials. As illustrated in the conceptual diagram below, a
distillation column is composed of several process unitsa condenser, a finite number of
equilibrium stages (one of which is the feed stage), and a reboiler. A distillation column exploits the
relative volatility (i.e., the boiling points) of the chemical compounds in the feed stream. Those
compounds that are more volatile (i.e., have a lower boiling point) want to concentrate in the
distillate stream, while those compounds that are less volatile (i.e., have a higher boiling point) want
to concentrate in the bottoms stream. In the conceptual diagram, the set of process units operates
as a steady-state system. The system is the mixture of chemical compounds (or components)
passing into, through, and from the distillation column.
Column Diagram
QC
Assumptions
Condenser
TD
R
Stage 1
TF
PF
nF
F
Feed
ZF
Reflux
D
Distillate
PD
nD
1.
2.
3.
4.
5.
continuous process
steady state
no shaft work
XD
Feed
Stage 2
Stage 3
TB
B
Bottoms
QR Reboiler
PB
nB
XB
Heat
( QR ) is added to the reboiler to vaporize part of the liquid and produce the vapor
flow that travels up the column to the condenser. The other part of the liquid in the reboiler is
draw off as the bottoms stream. Heat ( QC ) is extracted in the total condenser to convert the
saturated vapor to a saturated liquid. Part of this liquid is then reflux down the column to the
reboiler. The other part is drawn off as the distillate stream.
A feed stream enters on one of the equilibrium stages. At the temperature and pressure of
this stage, a vapor-liquid equilibrium is established, and a vapor stream flows to the stage above
while a liquid stream flows to the stage below. At each stage in the column, this same
equilibrium process occurs at a different temperature and pressure, causing the components to
separate by their difference in boiling points. The more volatile components concentrate in the
vapor, and the less volatile components concentrate in the liquid. The temperature and pressure
profiles in the column are similar, going from higher values at the reboiler to lower values at the
condenser.
Beef, Inc.
L-1
7/29/98

As show in the three-stage diagram above, a distillation column consists of many smaller
process units that are tied together. A mathematical model for the whole column is simpler to
present by modeling each section of the columncondenser, stages, reboilerseparately and
then show how they overlap. The mathematical models for the total condenser, three stages
including a feed stage, and the reboiler of a distillation column are given below. The column is at
steady state with no chemical reaction or shaft work and negligible kinetic and potential energy
changes. In each math model, the independent set of equations contains the material and energy
balances, the thermodynamic functions for molar enthalpy, vapor-liquid equilibrium (vle)
functions, temperature and pressure relationships and a component mole fraction sum. The
degrees-of-freedom (DOF) analyses below show the number of variables that must be specified to
solve each model separately. An overall degrees-of-freedom analysis is also shown for all the
smaller models combined. The overlapping of the process units causes variables and equations to
be duplicated when determining the DOF. Each process unit duplicates the process state
variables of two streams (i.e., the temperature, pressure, flow rate, and composition) and the molar
enthalpy functions of two streams. To solve the entire distillation column, (nc + 10) variable
must be specified.
The mathematical algorithm for solving the entire column is given below. Because of the
dependence of each process unit on the others, the equations must be solved simultaneously. All
unknown variables are iterated in all equations until all the equations equal zero. Other possible
Ti
Pi
ni
ni , j
is
is
is
is

nc
zi , j
is
is

vector Z i means all elements zi ,1 , zi , 2 , , zi ,nc for stream i.
xi , j
is
the liquid mole fraction of component j in process stream i;

vector Xi means all elements xi ,1 , xi , 2 , , xi ,nc for stream i.
yi , j
is
the vapor mole fraction of component j in process stream i;

vector Yi means all elements yi ,1 , yi , 2 , , yi ,nc for stream i.
is
is
is
the reflux ratiothe reflux flow rate of R over distillate flow rate of D.
the molar vapor fraction of the phase equilibrium in process stream i.
the equilibrium vaporization ratio or K-value of component j.
Hi
Qu
Pu
is
is

the energy duty of the condenser or reboiler unit u, kJ/h.
is
the pressure drop of the condenser or reboiler unit u, kPa.
is

V f ,i
Kj
Beef, Inc.
L-2
7/29/98

Condenser Diagram
QC
V1
satd
vapor
satd
liquid
R
Reflux
Distillate
Condenser Mathematical Model

(1)
nV 1 nR nP = 0
(2)
nV 1 yV 1, j nR x R, j nD x D, j = 0
(3)
nV 1 HV 1 nR H R nD H D QC = 0
(4)
HV 1 hmix TV 1 , PV 1 , YV 1 = 0
(5)
H R hmix TR , PR , X R = 0
(6)
H D hmix TD , PD , X D = 0
( 7)
TR TD = 0
(8)
PR PD = 0
(9)
R nR / nD = 0
( 10 )
x R, j x D, j = 0
( 11 )
TD vle PD , Vf , D = 0, X D = 0
( 12 )
P PV 1 + PD = 0
for j = 1, 2,
, nc
for j = 1, 2,
, nc
bubble - point temperature
# vars = 3 nc + 15
# eqns = 2 nc + 10
DOF = 1 nc +
Example knows: TV 1 , PV 1 , nV 1 , YV 1 ,
Beef, Inc.
L-3
PD , R
7/29/98

Stage 1 Diagram
R
V1
Stage 1
V2
L1
Stage 1 Mathematical Model

(1)
nV 2 + nR nV 1 nL1 = 0
(2)
nV 2 yV 2, j + nR x R, j nV 1 yV 1, j nL1 x L1, j = 0
(3)
nV 2 HV 2 + nR H R nV 1 HV 1 nL1 H L1 = 0
(4)
HV 2 hmix TV 2 , PV 2 , YV 2 = 0
(5)
H R hmix TR , PR , X R = 0
(6)
HV 1 hmix TV 1 , PV 1 , YV 1 = 0
(7)
H L1 hmix TL1 , PL1 , X L1 = 0
(8)
for j = 1, 2,
, nc
yV 1, j K j x L1, j = 0
for j = 1, 2,
, nc
(9)
K j kvalue T1 , P1 , YV 1 , X L1 = 0
for j = 1, 2,
, nc
( 10 )
TV 1 TL1 = 0
( 11 )
TV 1 T1 = 0
( 12 )
PV 1 PL1 = 0
( 13 )
PV 1 P1 = 0
nc
( 14 )
x
j =1
L1, j
1.0 = 0
# vars = 5 nc + 18
# eqns = 3 nc + 11
DOF = 2 nc +
Example knows: TV 2 , PV 2 , nV 2 , YV 2 ,
Beef, Inc.
L-4
TR , PR , nR , X R , P1
7/29/98

Feed Stage 2 Diagram
V2
L1
Feed
Stage 2
Feed
V3
L2
Feed Stage 2 Mathematical Model

(1)
nF + nV 3 + nL1 nV 2 nL 2 = 0
(2)
nF z F , j + nV 3 yV 3, j nL1 x L1, j nV 2 yV 2, j nL 2 x L 2, j = 0
( 3)
nF H F + nV 3 HV 3 + nL1 H L1 nV 2 HV 2 nL 2 H L 2 = 0
(4)
H F hmix TF , PF , Z F = 0
(5)
HV 3 hmix TV 3 , PV 3 , YV 3 = 0
(6)
H L1 hmix TL1 , PL1 , X L1 = 0
(7)
HV 2 hmix TV 2 , PV 2 , YV 2 = 0
(8)
H L 2 hmix TL 2 , PL 2 , X L 2 = 0
(9)
for j = 1, 2,
, nc
yV 2, j K j x L 2, j = 0
for j = 1, 2,
, nc
( 10 )
K j kvalue T2 , P2 , YV 2 , X L 2 = 0
for j = 1, 2,
, nc
( 11 )
TV 2 TL 2 = 0
( 12 )
TV 2 T2 = 0
( 13 )
PV 2 PL 2 = 0
( 14 )
PV 2 P2 = 0
nc
( 15 )
x
j =1
L 2, j
1.0 = 0
# vars = 6 nc + 22
# eqns = 3 nc + 12
DOF = 3 nc + 10
Example knows: TV 3 , PV 3 , nV 3 , YV 3 , TL1 , PL1 , nL1 , X L1 ,
Beef, Inc.
L-5
TF , PF , nF , Z F , P2
7/29/98

Stage 3 Diagram
V3
L2
Stage 3
L3
V4
Stage 3 Mathematical Model

(1)
nV 4 + nL 2 nV 3 nL 3 = 0
(2)
nV 4 yV 4, j + nL 2 x L 2, j nV 3 yV 3, j nL 3 x L 3, j = 0
(3)
nV 4 HV 4 + nL 2 H L 2 nV 3 HV 3 nL 3 H L 3 = 0
(4)
HV 4 hmix TV 4 , PV 4 , YV 4 = 0
(5)
H L 2 hmix TL 2 , PL 2 , X L 2 = 0
(6)
HV 3 hmix TV 3 , PV 3 , YV 3 = 0
(7)
H L 3 hmix TL 3 , PL 3 , X L 3 = 0
(8)
for j = 1, 2,
, nc
yV 3, j K j x L 3, j = 0
for j = 1, 2,
, nc
(9)
K j kvalue T3 , P3 , YV 3 , X L 3 = 0
for j = 1, 2,
, nc
( 10 )
TV 3 TL 3 = 0
( 11 )
TV 3 T3 = 0
( 12 )
PV 3 PL 3 = 0
( 13 )
PV 3 P3 = 0
nc
( 14 )
x
j =1
L 3, j
1.0 = 0
# vars = 5 nc + 18
# eqns = 3 nc + 11
DOF = 2 nc +
Example knows: TV 4 , PV 4 , nV 4 , YV 4 , TL 2 , PL 2 , nL 2 , X L 2 ,
Beef, Inc.
L-6
P3
7/29/98

Reboiler Diagram
satd
vapor
V4
L3
satd
liquid
B
Bottoms
satd
liquid
QR
Reboiler Mathematical Model

( 1)
nL 3 nV 4 nB = 0
(2)
nL 3 x L 3, j nV 4 yV 4, j nB y B, j = 0
( 3)
nL 3 H L 3 nV 4 HV 4 nB H B + QR = 0
(4)
H L 3 hmix TL 3 , PL 3 , X L 3 = 0
(5)
HV 4 hmix TV 4 , PV 4 , YV 4 = 0
(6)
H B hmix TB , PB , X B = 0
(7)
for j = 1, 2,
, nc
yV 4, j K j x B, j = 0
for j = 1, 2,
, nc
(8)
K j kvalue TB , PB , YV 4 , X B = 0
for j = 1, 2,
, nc
(9)
TV 4 TB = 0
( 10 )
PV 4 PB = 0
nc
( 11 )
x
j =1
( 12 )
L 3, j
1.0 = 0
PR PL 3 + PB = 0
# vars = 4 nc + 14
Example knows: TL 3 , PL 3 , nL 3 , X L 3 ,
Beef, Inc.
L-7
# eqns = 3 nc +
DOF = 1 nc +
PB , nB
7/29/98

Column Degrees-of-Freedom Analysis
Total Number of Variables
Condenser
3nc +
Stage 1
5nc +
6nc +
22
Stage 3
5nc +
18
Duplicates
Total Variables
4nc
23nc
8nc
15nc
+
+
+
+
2nc +
2nc +
2nc +
2nc +
8nc +
32
18
Feed Stage 2
Reboiler
Duplicates
15
14
87
32
55
Each process unit duplicates the temperature, pressure, flow rate,

composition, and enthalpy for two streams (i.e., 2nc + 8).
Total Number of Equations

Condenser
2nc +
10
Stage 1
3nc +
11
Feed Stage 2
3nc +
12
Stage 3
3nc +
11
Reboiler
Duplicates
Total # equations
3nc +
14nc +
14nc +
Duplicates
}
9
53
8
45
Each process unit duplicates the enthalpy functions for two streams.
Overall Degrees of Freedom

Number of Variables =
Number of Equations =
DOF =
Example knows: TF , PF , nF , Z F ,
Beef, Inc.
L-8
15nc
55
14nc
1nc
+
+
45
10
PD , P1 , P2 , P3 , PB , R, nB
7/29/98
Mathematical Algorithm
D , R , B , QC , QR = column F , PD , P1 , P2 , P3 , PB , R, nD
Iterate on all unknowns in
f all unknowns
all equations
until f all unknowns = 0

The above mathematical algorithm is for a simple distillation column with three stages
and the feed entering on the second stage. HYSYS supports the simulation calculations for a
rigorous distillation column that may contain up to 200 stages. If the process state of the feed
stream to a rigorous column is fully defined (i.e., the temperature, pressure, flow rate and composition
are known) and some column characteristics are given, only two additional variables are required
to calculate all unknowns, as depicted in the HYSYS simulation algorithms below:
D , R , B , QC , QR
columna F , PD , PB , N S , N FS , R, nD
D , R , B , QC , QR
columnb F , PD , PB , N S , N FS , R, nB
where N S is the number of column stages, N FS is the feed stage number, and R is the reflux
ratio.
The above two column algorithms are but a few of the many HYSYS simulation
algorithms for this unit operation. For the rigorous column, HYSYS calculates all of the
equilibrium stage pressures from the distillate and bottoms pressures ( PD and PB ). The number of
stages, the feed stage number, and the reflux ratio can be estimated using the shortcut column
operation in HYSYS. The last two specified variables in the rigorous column algorithm can be
any combination of the reflux ratio, distillate flow rate, reflux flow rate, bottoms flow rate,
condenser duty, reboiler duty, and exit component compositions.
Beef, Inc.
L-9
7/29/98

Tutorial Aspen HYSYS

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Bison Engineering and Evaluation Firm

Hawbawg Chemical Company

Chemical Process Simulation and

December 15, 2007

Copyright 1998-2007 by Chemical Engineering Department

Conversion Reactor and Reactions ................................................................ 2-37

3. Process Unit Assignments

HY.5 Reactor Simulation ....................................................................................... 3-13

Chapter 2 introduces you to the HYSYS process simulation software. The

Chapter 4 contains seven assignments to develop the styrene monomer

2. HYSYS Simulation Tutorials

Figure 2.1. A Simple Process Flowsheet

2. HYSYS Simulation Tutorials

A. Keywords for mouse actions.

2. HYSYS Simulation Tutorials

C. Interactive process modeling.

2. HYSYS Simulation Tutorials

calculations begin automatically whenever you supply new information,

access to the information you need is in no way restricted.

D. HYSYS at Bucknell University.

Log on to a computer that is connected to the network.

2. HYSYS Simulation Tutorials

To access the HYSYS program from the

Any window in HYSYS may have several tab

In this manual, we will use notation like

Select the Simulation/Options page, if

To make it the current preference page, which

Uncheck the Use Modal Property Views in

To de-activate the modal mode of displaying

3. Select the Variables/Units page.

To display the Units preference page in the

Click SI in the Available Unit Sets area,

To instruct HYSYS to use the SI system of

4. Select the Reports/Company Info page.

To display the company name and location.

Type CHEG 200, your name in the Company

To provide a unique identification of you.

Type the following in the Company Location

To provide a unique identification for your

5. Click the Save Preference Set button, then

To save your default preferences for the

2. HYSYS Simulation Tutorials

folder on the network file server.

7. C hoose File/Exit from the menu bar

2. HYSYS Simulation Tutorials

A. Start the HYSYS program.

To access the HYSYS program from the

2. Choose Tools/Preferences from the menu

To display the Session Preferences window

3. Select the Variables/Units page.

To display the Units preference page in the

Click SI in the Available Unit Set area,

To close the Session Preferences window

2. HYSYS Simulation Tutorials

To display the Open Simulation Case

2. Look in the pull-down menu , select the

To find the HYSYS simulation file intro.hsc

3. Double-click on the file named intro.hsc,

To open the pre-defined simulation file. The

4. Choose File/Save As from the menu bar.

To display the Save Simulation Case As

To store the simulation in your personal folder

Look in the pull-down menu , select your

After you have finished your simulation work,