Aspen Workbook - 2013

ChEN 358
Chemical Engineering
Thermodynamics Lab
Spring 2013
Aspen Computer Lab Workbook
John Persichetti
Teaching Associate Professor
Chemical and Biological Engineering
Colorado School of Mines
Golden, CO
Revised:
January 10, 2013
Statements of Intellectual Property Ownership and Copyright Restrictions on the content

of this workbook:
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Per the Colorado School of Mines Faculty Handbook, 12th Edition, Section 10.1 Intellectual Property Policy:
Paragraph III.A Intellectual Property Owned by CSM refer(s) toworks of authorshipor improved
upon as part of the Inventor's employment relationship with CSMwhich are developed pursuant to the
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Paragraph III.B Intellectual Property Owned by the Employee-Inventor intellectual property for which
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authored by an employee within the scope of employment, unless such works are produced as part of a
sponsored program (e.g., as a contracted-for research deliverable) or are works that are specifically
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The general layout and content of this workbook was initially conceived and developed by the author (John
Persichetti) over a period of several years, and is the IP of the author claimed under the category of academic
instruction materials. The workbook was subsequently updated and expanded under the category of specifically
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This workbook is made available at no charge to actively registered students in the

undergraduate and graduate programs, Chemical and Biological Engineering (CBE)
Department, Colorado School of Mines, in an electronic PDF file format. Students use of
this workbook, under this no-cost distribution stipulation, is limited to use within the
CBEs undergraduate and graduate courses, whether directly for course work or as a
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studies is prohibited without the appropriate prior written consents described above (from
the author, VPRTT, and AspenTech, Inc.).
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Contents
page
Overview of ChEN 358 Computer Labs and Workbook Content .................................................1
This workbook contains ..........................................................................................................1
Using this workbook in a self-study format .............................................................................2
Instructional:
Using Aspen Plus ........................................................................................................................3
What is a Chemical Process Simulation Program.....................................................................3
Preparing to Use a Simulation Program ...................................................................................6
Example Natural Gas Pipeline Mixing ..................................................................................7
Building and Running a Process Simulation Model .................................................................9
Starting Aspen Plus .............................................................................................................9
New Simulation .................................................................................................................10
Simulation Navigation Pane ..............................................................................................11
Building the Flowsheet ......................................................................................................11
Labeling Streams and Unit Operations ...............................................................................13
Color Scheme ....................................................................................................................13
Manipulating Objects on the Flowsheet .............................................................................14
Expert Guidance the Next Input Feature ......................................................................14
Specifying Simulation Title, Units of Measure...................................................................14
Selecting Chemical Components .......................................................................................15
Selecting Fluid Property Models (Thermodynamic and Transport Properties) ....................16
Entering Stream Data ........................................................................................................17
Entering Unit Operation Data ............................................................................................18
Running the Simulation Model ..........................................................................................20
Examining the Results .......................................................................................................22
Printing Results .................................................................................................................24
Making Changes to the Simulation Model .........................................................................24
Saving the Simulation Model.............................................................................................25
Leaving Aspen Plus ...........................................................................................................26
Additional Features in Aspen Plus .............................................................................................27
Design Specifications ............................................................................................................27
Optimization .........................................................................................................................32
Using Aspen to Generate Thermodynamic Properties ................................................................34
Unit Operations as Thermo Property Generators....................................................................34
Property Analysis ..................................................................................................................35
Additional Properties in the Stream Summary Table..............................................................40
Multicomponent Systems ..........................................................................................................44
Tutorials:
Compression/Expansion Operation............................................................................................49
Generating a Phase Envelope ....................................................................................................58
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Contents (continued)
page
Exercises:
Compression/Expansion Property Calculations .........................................................................62
Refrigeration Simple Gas-Flash Configuration .......................................................................64
Binary Flash Calculations..........................................................................................................66
Simulations:
Liquefaction ..............................................................................................................................68
Boiler Operations ......................................................................................................................71
Appendices ...............................................................................................................................73
Properties of Saturated Liquid and Vapor Ammonia: .............................................................74
Thermodynamic Properties of Ammonia P-h Graph: ..........................................................75
PT Diagram of the Ethane / n-Heptane System: .....................................................................76
yx Diagram of Four Binaries, at Constant Pressure: ...............................................................77
Pxy Diagram of Four Binaries, each at a Constant Temperature:............................................78
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Overview of ChEN 358 Computer Labs and Workbook Content

The ChEN 358 computer lab (a.k.a. the dry lab) is designed to:
1. Instruct students in how to use the Aspen Plus chemical process simulation software. This
type of software is used quite often in industry and somewhat in research projects where
detailed thermodynamic analysis may be needed. Learning how to use process simulation
tools is an essential part of the undergraduate education in the Chemical and Biological
Engineering program. You may use it in heat transfer and/or mass transfer, when analyzing
reacting systems, and certainly in the senior design course.
2. Work through the specific analysis of several thermodynamic system configurations using
Aspen Plus to assess thermodynamic models, their applicability to chemical systems, and to
evaluate the material and energy balances of these system configurations.
The dry lab is not intended to re-teaching basic concepts of material and energy balances or the
basics of thermodynamics as it relates to equipment operations (e.g., pumps, compressors, heat
exchangers). As needed, the nuances of how equipment is modeled in Aspen will be discussed
in this workbook and may require further explanation during office hour assistance time or in
classroom discussions. In the past, ChEN 358 computer lab contact time was spent with students
running Aspen simulations. The department administration would like to evaluate this portion of
the lab being taught through use of a self-paced, self-directed workbook augmented with office
hour assistance time in the computer lab for those students who have questions not addressed in
the workbook.
This workbook contains
Instructional and Tutorialcontent that provides a range of detailed, step-by-step tutorials

or quick instructional explanations of concepts (e.g., Using Aspen Plus, Multicomponent
Systems).
Exercisesthat are a quick analysis approach to obtaining thermodynamic properties from

Aspen simulations.
Simulationsthat are more involved process configurations and require careful thought in
how to configure and define a solution sequence that involves a series of process unit
operations.
Appendicesoffering helpful tables and graphs used in the tutorials, exercises and
simulations.
ChEN 358 Aspen Computer Lab Workbook
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Using this workbook in a self-study format

1. Read the section on Using Aspen Plus (starting on page 3) and work through configuring
and running the natural gas mixing example (starting on page 9). This is a very detailed
tutorial stepping through how to set up and run a simulation in Aspen. At the end of that
section are suggested modifications to the example problem. Modify your simulation with
variations described on page 24 in the Making Changes to the Simulation Model section.
Be sure you can make the configuration changes and get the expected results.
2. Work through the two Tutorial problems, Compression/Expansion Operation and

Generating a Phase Envelope, as further assistance in using Aspen Plus. These Tutorial
problems (and some of the Exercises and Simulations) are supported by the additional
instructional material, Additional Features in Aspen Plus, Using Aspen to Generate
Thermodynamic Properties, Multicomponent Systems, and material in the appendices. It
is helpful to read this support material prior to or in conjunction with working the tutorial
problems.
3. Run the remaining three Exercises and two Simulations as assignments for the course,
referring back to the tutorial material as necessary. Due dates for these assignments are
provided in the ChEN 358 Syllabus. Turn in the associated report and simulation results as
described for each assignment.
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Using Aspen Plus

What is a Chemical Process Simulation Program
Felder and Rousseaus book Elementary Principles of Chemical Processes (chapter 3) gives
concise definitions that help us understand the meaning of the phrase Chemical Process
Simulation Program:
A process is any operation or series of operations by which a particular objective is
accomplished.
The phrase chemical process refers to those operations that cause a physical or chemical
change in a substance or mixture of substances.
NOTE There exists a great deal of variation between industry, government and academic
segments in how to refer to a chemical. The above definition uses the term substance
and substances. Others may use terms such as components, fluids, or materials. The
nomenclature used by an engineering or scientific discipline may have a different
meaning in another engineering discipline (i.e., components, used by simulation
programs refers to pure fluid chemical substances, while it may imply machine parts to
a mechanical engineer or electric circuit board parts to an electrical engineer). Be
careful, and keep an open mind in the use and meaning of these terms and how they
may be used, or that they may imply different meanings. In this discussion, and
relative to most chemical process simulation applications, we are concerned with
chemical substances (pure or in mixture form) that can exist in a vapor, liquid or solid
state, but where processing is generally in either the vapor or liquid state, or both.
Simulation and program are somewhat redundant. The term simulation means a model of a
given scenario that allows for testing a variety of events, actions and responses, all in an
environment removed from the actual scenario of interest. A flight simulator allows pilots to
practice aircraft take-offs, landings, and general maneuverability under diverse conditions.
These simulators also allow pilots to practice emergency response situations all without risk to
aircraft or human life because it is done in a flight simulator. An economic-impact simulation
looks at the anticipated effects of such events as the federal government raising the prime
lending rate, or Japan flooding the U.S. automobiles market (loss of U.S. autoworker jobs,
possible shifts to manufacturing in the U.S. or other new job opportunities, impact on petroleum
use, etc.) Simulations are generally computer-based and the term program here clearly states
that the chemical process simulation is being done using a software program.
NOTE Many users refer to these programs as process simulators or chemical process
simulators and drop the use of program.

Given these definitions, a chemical process simulation program allows us to define a chemical
process through a simulation model and study how the process will behave as process conditions
are changed. We dont need to build the process, run a wet lab, pick up a wrench, or get our
hands at all dirty. Sounds nice, but unless the data and calculation algorithms stored within the
simulator are based on actual, physically measured data, or on models that themselves tie back to
physical validation, we cannot attach a high degree of confidence to the results from these
simulation studies.
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Process simulators can, at times, allow you to define or design a pipeline that is 1,000 miles in
length and inch in diameter, or a storage tank having a total volume of 1.0 m3 and cross
section area of 100 m2 (thats a tank with a diameter of 35.68 m and height of 1 mm!) These are
physically unrealistic, even ridiculous process systems, but in a strictly mathematical analysis
they are valid. There is an old material balance adage that applies to the use of process
simulation programs:
Garbage In = Garbage Out

Another analogy you dont give an eight-year-old the keys to the car just because the car exists.
At that age a child understands that they want to get from here to there, and that a car is a much
easier way to do so than walking. Although the child may know how to get where theyre going,
it may be cutting through the park, hoping over the neighbors fence, and arriving in Joeys back
yard. Given a car, they may not know its limitations (drive on the road and stay to the righthand-side), how to engage it (D stands for drive and not Debbys house, and the brake is the
pedal to the left), or recognize when theyve arrived at where they want to be (gee, all these
houses look the same from the front.) Maybe they should stick to walking until they learn more
about what they want to accomplish.
Likewise, just because a process simulation program can solve many of your chemical
engineering problems, in a fraction of the time it may take to solve them through hand
calculations, you must first understand/learn:
How to perform the hand calculations (not necessarily doing the calculations, but clearly
understanding how they are done),
What are reasonable or expected results,
How to define your problem in a language the process simulator understands,
How to interpret results from the simulation program, and
Presenting the problem definition, approach, assumptions, and results in a clear and concise
manner (what good are all of your efforts if others cant understand what you did, why, or
what you concluded the results?)
Chemical Process Simulation Programs

We will use a program called Aspen Plus. Commercially (meaning you can buy them for your
own personal use) there are other programs that provide essentially the same chemical process
simulation features:
Aspen Plus
from AspenTech (http://www.aspentech.com), Cambridge,

Massachusetts.
Aspen HYSYS
previously from AEA Technologies Hyprotech, Ltd., Calgary,

Alberta, Canada. This software is now owned by AspenTech.
PRO/II
from Simulation Sciences (http://iom.invensys.com/en/pages/simsciesscor_processengsuite_proii.aspx) in Southern California.
CHEMCAD
by Chemstations (http://www.chemstations.com/).
ProMax
by Bryan Research & Engineering, Inc. (http://www.bre.com).
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These programs may be either sold or leased depending on the company that provides the
software. Typical leases for Aspen Plus, Aspen HYSYS and PRO/II are on the order of
$25,000/year for a single-user, single site license (includes maintenance, customer support, and
product upgrades as they become available). Academic discounts are available. These first three
programs are used extensively worldwide in a broad range of applications, and constitute
probably 90% of the chemical process simulator use. The vendors (those who provide the
programs) also offer add-ins, extensions, ancillary programs, etc. to help augment their overall
product offering. These vendors tend to differentiate themselves based on application (natural
gas processing, petroleum refining, chemicals, solids handling, modeling electrolytic processes,
polymer processing, even into dynamic or transient modeling, and batch processing.) All of
these simulation programs can generally solve the full slate of traditional chemical process
engineering problems.
Our version of Aspen Plus is the most current available, and is limited to steady-state (which
implies continuous) processing NO CLOSED VESSELS! It contains physical property data
for over 1,700 chemicals, an extensive slate of fluid property prediction models (thermodynamic
and transport models), and unit operation models for tanks, pipes, valves, heaters and heat
exchangers, pumps, compressors, distillation columns, etc.
Several other chemical process simulation programs are also available, but are not used nearly to
the extent that the above programs are used by chemical engineers, or may not be as directly
applicable to chemically-based systems. These programs generally have more of a niche
application market. They may be slanted toward scientific analysis (such as molecular
simulation), focus on dynamic or transient processes, apply to semi-continuous or batch
processing, or be non-unit operation based and more in the realm of equation solver programs
(COMSOL, MathCad, Mathematica, SINDA/Fluint, etc.) Computational Fluid Dynamics (CFD)
programs are gaining in use in fluid flow, heat transfer, and reactive systems analysis. Computer
programs are also used extensively in process control. Although many of these programs
incorporate simulation or modeling algorithms, they are primarily used in feedback and feedforward control to maintain a process at specified operating conditions (hold the temperature
constant, keep a tank from overflowing or under-flowing) and not in controlled transient
changes.
Learning the fundamentals of steady-state process simulation is a good foundation for later use
of these more specialized programs.
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Preparing to Use a Simulation Program

Think of a simulation program as a fancy calculator. You cannot simply use it to solve your
engineering problem. First, you must clearly define your problem, what you want to determine,
what you know, what you will assume, how you intend to go about the analysis, and a feel for
the expected results very much the same approach used in solving homework problems:
Problem
Outline
General problem statement, including what you know and what you want to
determine.
Known
State clearly the knowns of the problem (e.g., the fluid is Methane, T = 98 C,
v = 20 cm3/gmole, etc.) This is where you distill the written problem down to
its essential definition. A process sketch is very useful with this component.
Find
State the objective of the problem (e.g., what is the product mass flowrate.)
Assume
State what is needed to solve the problem, but is not explicitly specified (e.g.,
steady-state operation, operating at an atmospheric pressure condition.)
Analysis
Approximate analysis or solution (e.g., assumption of constant density leads to a

simplification of the problem definition, and approximate result with an
expected error from the true solution of 10%.)
Simulation
Results
Enter the above into a simulation model, run the simulation, and compare its
results to what you expect ( 100% or off by a factor of 1000 is a clear
indication that either your preliminary assessment was flawed, or your
simulation definition is incorrectly defined.) Update the simulation as required,
fine-tuning your problem. Generally, the simulation results will be reasonably
close to your pre-simulation analysis.
Conclusion
Presentation of your problem outline and results, including assumptions made in

order to arrive at your results, in a clear and concise report.
The Problem Outline is a given assignment that may warrant use of a simulation analysis. The
four steps of Known, Find, Assume and Analysis are to be done prior to sitting down at the
computer. (You may even determine that a particular simulator is not properly suited to solve
your problem, but that wont be the case in assignments given during your undergraduate studies
at CSM when asked to use Aspen.) Now you are ready to proceed to the simulation step.
The best way to learn the basics of Aspen Plus is by using the program. We will do so by
solving a simple mixing problem a modification of problem 2-101 in engel and Boles.
NOTE The following example is very trivial and simply demonstrates the mechanics of using
Aspen Plus. When learning a program such as this it is best to start with an example
that does not pose any conceptual or intuition problems. (The same is true for learning
a programming language.) Once the basic concepts are understood we will then use
this powerful tool to tackle much harder problems. The objectives here are to teach the
mechanics of using Aspen Plus (keep in mind, too, that the mechanistic approach for
Aspen is very similar to other process simulation programs). It is also imperative that
engineers continue to build upon programming skills because many engineering
problems cannot be solved solely with commercially available simulation programs and
require use of specialized ancillary code that interfaces to the simulation program.
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Example Natural Gas Pipeline Mixing

Problem
Outline
Two pipelines (#1 and #2), each containing natural gas (assume it to be pure
methane,) are mixed into pipeline #3. Both inlets have flow rates of 100 kg/s.
One pipeline is at 600 kPa with the gas at 20 C. The other pipeline has a much
lower pressure of 150 kPa, and the gas is at 30 C. When these two lines are
mixed the resulting pressure is 150 kPa. What is the expected temperature in
this downstream pipeline?
Known
Chemical substance, temperature, pressure, and flow rate for two feed streams.
Specification for mixed product stream pressure. (Draw a picture...)
Methane
T1 = 20 C
P1 = 600 kPa
m1 = 100 kg/s
Methane
T3 = ?
P3 = 150 kPa
m3 = 200 kg/s
Methane
T2 = 30 C
P2 = 150 kPa
m2 = 100 kg/s
Find
The product stream temperature
Assume
Operation is at steady-state.
No heat loss / heat transfer effects between pipelines and the surrounding
ambient environment.
Gas behaves as an ideal gas (we can modify this assumption later, but this is a
good starting point.)
Analysis
1. Although not explicitly stated, the mass balance indicates that the product
stream will have a flowrate of 200 kg/s.
2. As the objective of the problem is to determine the product stream
temperature, we can do a very quick estimate that it will be a mass average
of the two feed streams, or 25C ( ?). (On the next page is a more
extensive estimate, but one that is not necessary in this case.)
This level of definition is sufficient to now build an Aspen simulation model of the process.
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Before doing so, though, what other considerations or assumptions might we explore while
running the simulation studies? What further preliminary analysis helps gain an estimate of what
to expect for T3?
1. What kind on mixing is occurring (isothermal, isobaric, adiabatic)? How can each be
achieved in a physically realistic environment? What thermodynamic relationships help to
estimate the product stream under these different types of mixing? Is the type of mixing
reasonable, or does it even matter for this problem?
2. Does methane truly behave as an ideal gas under these conditions? If not, how will this
impact the results? (In order to answer the question of does it matter we often need to do a
thermodynamic analysis, or run a series of simulation scenarios to determine a quantitative
impact of such an assumption or operational specification.)
3. What impact does the assumption of steady-state operation have on the analysis? What can
we draw upon from a series of steady-state analyses in order to estimate the impact of
potential dynamic behavior (e.g., fluctuating flows, variations in external, ambient
temperature)?
4. What about the heat-leak affects? Are they potentially significant?
To extend the preliminary analysis a 1st Law Energy Balance leads to (under the steady-state
assumption and neglecting kinetic and potential energy effects),
m1h1 + m2 h2 (m1 + m2 )h3 =
0
Considering methane as only in the gas phase with a constant heat capacity (very minor changes
in temperatures, so constant Cp seems a reasonable assumption,) and if the mixing is adiabatic,
0
m1CP (T1 Tref ) + m2CP (T2 Tref ) (m1 + m2 )CP (T3 Tref ) =
0
m1CPT1 + m2CPT2 (m1 + m2 )CPT3 Tref CP (m1 + m2 (m1 + m2 )) =
0
m1CPT1 + m2CPT2 (m1 + m2 )CPT3 =
m1T1 + m2T2 =(m1 + m2 )T3
T3 =
m1T1 + m2T2
(m1 + m2 )
This is the mass average estimate done previously.
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Building and Running a Process Simulation Model

Having worked out a clear definition of the problem, we are ready to build an Aspen Plus
simulation model.
Starting Aspen Plus
Starting Aspen Plus depends on how the program is installed on the computer. If you plan to use
the software often it helps to create a shortcut on the desktop for a quick launch. Finding the
actual application / user interface on the computer depends on both the operating system and the
installed version of Aspen Plus. This workbook is based on Aspen Plus V7.3.2 installed on a
Windows 7 operating system. To find the Aspen Plus user interface application, type Aspen
in the Search programs and files box at the start menu. Select the Aspen V7.3.2 application
which has A+ as an icon (right click to Send to > Desktop to create a shortcut). Earlier
versions of the Aspen Plus application used the name Aspen Plus User Interface instead of
Aspen V7.3.2; installation of the Aspen Suite installs several programs and we will use Aspen
V7.3.2 or Aspen Plus User Interface as the program launch point.
Once launched and at some point, depending on the version of Aspen, you will be asked to
validate your license rights. If a screen comes up requesting User or License validation
information, click on Academic User. If you dont do this some features will become
disabled, and eventually the program may not work for your login ID.
Starting Aspen gives an introduction display:
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The upper left corner lets you choose to open an existing simulation file (Recent Cases) or
create a new simulation file (New). If you have an existing file and it does not appear in the
Recent Cases window you may browse for the file using Open File
Two other areas of this introduction display give Aspen Technologies Product News and a
section to Get Started with the program. Users often benefit from the Training link (lower left
corner) which opens an online detailed list of training modules, but these modules are geared
toward degreed engineers with a comprehensive knowledge of chemical engineering
technologies. This workbook is a preliminary approach for novice users.
New Simulation
Click New to open a simulation template form, then click the Blank Simulation button
(center of form) followed by the Create button (lower right) to open a new simulation case. By
default, the model is opened to the Properties Navigation Pane view. This is where basic
problem definitions are made (Components, thermo Methods, etc.) The Simulation Navigation
Pane switches to a drawing canvas where a visual process flow diagram is created that
establishes the connectivity between unit operations using material streams (and possibly heat
and work streams.)
(hidden Ribbon symbols that show up in the copy-paste of screen captures they can be ignored)
The Aspen Plus main window is driven by the two Navigation Panes (Properties and Simulation)
and the ribbon bar, and looks like many Microsoft Windows applications. We will start this
step-by-step approach with the Simulation pane and come back to the Properties pane.
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Simulation Navigation Pane

In the Simulation view, a unique feature is the page-tab system along the bottom that allows a
process to be built graphically. Material Streams represent the flow of material (gases, liquids
and solids), as if the material is in a pipe, at a given mass, molar or volumetric flow rate. This is
different from Energy Streams for heat and work transport throughout the system. Material
Streams are selected by at the lower left area of the Model Palette pane. Unit Operations are
selected by category (e.g., Mixers/Splitters, Separators, Heat Exchangers, etc.) in the Model
Palette area. For our example, we will only be concerned with a Mixer.
NOTE a unit operation is required whenever two or more streams are being combined. The
Mixer is the simplest unit operation available to achieve this. A simple flash calculation is
performed to ensure the combined product streams properties are thermodynamically consistent.
The center part of this window has a white background and is the canvas upon which the
process is drawn. This is considered a Flowsheet or PFD environment (PFD Process Flow
Diagram) and the tab at the top of this area is labeled Main Flowsheet, implying multiple
flowsheets are possible.
Building the Flowsheet
In the Mixers/Splitters unit operation category, click on the Mixer button (highlighted with a
white background).
Click on the canvas. This will draw the icon for a mixer, and by default this unit operation is
labeled B1. We can change it later to a more meaningful name, and even disable this
default naming approach (more on this later). If you want a different icon you can select
from available icons when first choosing the mixer, using the dropbox arrow to the right of
the Mixer button.
Select Material Streams by clicking on that button. It is shown to be active with a
highlighted white background. When the mouse is then moved into the canvas area the unit
icon shows highlighted arrows that are red or blue, both entering and leaving the unit icon.
These indicate a flow into or out of the unit operation. Red means the flow stream is
required and blue indicates an optional flow connection point. Quite often, multiple stream
can connect to a single port.
Click on the canvas area to the left of the mixer box (flow is generally drawn from left to
right in Western cultures.) The cursor changes from a (+) symbol to an arrow/line symbol
(| ). Slide the mouse to the mixer box, over the red arrow that indicates a feed port to the
mixer. The color for this port will change to pale green, but thats hard to see because the
cursor is over the feed port symbol. Click to place the connection. The stream is drawn with
an open arrow symbol at its starting point and a closed arrow symbol where it connects into
the mixer. By default, the Stream ID is 1 (shown in a square on the stream line); again this
can be changed. The color of the feed port on the mixer is now blue, meaning it can still
accept other feed streams into the unit, but no more are required. If the port connection
symbol becomes black its an indication that no more streams can be connected to that port.
(Blue also means that you are still in a connect mode and can make other stream connections,
and black indicated that you have switched out of draw mode by clicking on the arrow in the
upper left corner of the Model Palette window. To switch into draw mode at any time click
on Material Streams or any of the unit operation button.)
Place the second feed stream. Since Material Streams is still the active object type you only
need to click on the canvas (cursor is a + symbol and changes to the | symbol). This stream
will be given the Stream ID of 2 once it is placed. NOTE when you are dragging the
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stream for connection to the mixer the feed port highlights as yellow and changes to blue
when the connection can be made. A left mouse button click establishes the connection of
the stream to the unit. If you click and hold the button, and then drag the cursor to another
part of the icon the actual connection point can be moved and avoid bunching up multiple
streams onto one area of the icon.
To place the product stream, click on the red product port of the mixer. Drag the mouse to
another place on the canvas and click to complete the stream placement. Call stream will be
labeled as 3. NOTE there is a blue product port on the angled side of the mixer. This
type of port shows up on just about every unit operation icon. If you move the cursor of the
port it shows help text of Water Decant for Free Water or Dirty Water This is a special
application port where water can be pulled out of the system. It is used in aqueous/organic
applications where water can realistically be skimmed off a heavy organic layer. DO NOT
USE THE WATER DECANT PORT; you must instead have a connection to the Product
port.
Click on the angled arrow pointer in the Model Palette to cancel insert mode.
You now have a complete diagram for your process, and it should look something like this:
Dont worry if the lines are not entirely straight, they often have annoying zigzags that are hard
to get rid of. If you are the type of person who wants a clean diagram one trick is to get them
aligned as much as possible and then slide the stream label over the small zigzag in the line.
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A couple of things cropped up in this exercise. First is the labeling of streams and unit
operations, second is the color scheme.
Labeling Streams and Unit Operations
Every Stream on the flowsheet must have a unique name, and every Unit Operation must have
a unique name, but the two name lists are mutually exclusive. The name can be any
alphanumeric value limited to eight characters, with no embedded blanks, and no special
characters, although the underscore _ is allowed. That means we can name one of the streams
1 and the mixer 1, but that can get to be confusing, thus Aspen adopting an naming
convention of starting unit operation labels with a B (which stands for Block how Aspen
referred to unit operations in the early years of the program). To rename a stream or unit simply
right-click on the stream or unit and you will see an option to Rename. If you try to label a
stream or unit a name that is already taken an error will occur and you will need to reconcile the
problem (pick a different name or first rename/delete the other object of the same name.)
Depending on the default startup configuration stream and unit names may be given
automatically (i.e., blocks, or unit operations, my start with B1 and continue in sequence;
streams may begin with 1 and continue in sequence). Setting the default (whether or not to
automatically include stream and unit labeling) is done in the Simulation Navigation Pane view,
with the Main Flowsheet tab selected. The ribbon bar should have a tab for Flowsheet Modify.
In that view is Stream Results. Click the small expand button in the lower right portion of the
Stream Results to Set flowsheet display options. In the resulting form are checkboxes to
Automatically assign block name with prefix: and Automatically assign stream name with
prefix: where a prefix symbol can be given. If the prefix box is blank then only a sequential
numbering system is used. Once established, names can always be changed through the rightclick option box described above or by clicking the Streams or Blocks tree menu label while in
the Simulation Navigation Pane view, giving a table of defined stream or block objects. Select
the name to change (click on that part of the table) and choose Rename. This is also a
mechanism where you may enter or review data for these objects.
Color Scheme
Red
Generally means data entry or stream connection is required.
Blue
Generally means data entry or stream connection is user supplied or an optional
entry.
Yellow
Generally means optional input of some sort. The color code of yellow is not
often encountered in Aspen Plus.
Green
Various meanings for a stream connection the meaning is that the connection is
possible in the flowsheet draw mode. The color code of green is not often
encountered in Aspen Plus.
Black
Default color for Aspen supplied data values (default values), calculated results,
etc.
As a recap on stream connectivity into / out of unit operations In the flowsheet, unit operation
icons have ports that are shown when in a draw or connect mode. The direction of the arrow on
the unit indicates input (feed) or output (product) from the unit. Placing the mouse over any
given port will give a pop-up text description of the ports meaning. For example, the mixer has
one feed port (labeled Feed) and two product ports (one labeled Product and the other Water
Decant) Be careful to make stream connections to the proper ports. Once the mouse is on a
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port connection a left-button click and hold allows the actual connection point to be dragged
around to any part of the icon.
Manipulating Objects on the Flowsheet
In the lower left corner is a pointer icon. Select this to leave draw mode and enter a move / data
entry mode. Clicking on an object (streams or unit operations) will highlight it. You can click
and drag to rearrange and resize, or use the arrow keys for simple horizontal and vertical
movement. Click on a blank portion of the canvas to deselect all streams and unit blocks.
Expert Guidance the Next Input Feature
The easiest way to navigate through the program and complete input for the simulation is by
using the Next Input (F4) feature. This shows up as a green arrow (
) throughout the
program, located along the top menu strip. From the flowsheet environment, Next Input will
first check the flowsheet for proper connectivity and will not allow you to continue without
connectivity problems being resolved. You can bypass this and go to other parts of the program
through the menu system (which is broken into segments of Properties and Simulation), but you
will eventually need to have flowsheet connectivity problems fixed before running the simulation
model.
Clicking Next Input (or pressing F4) activates what used to be known as the Data Browser (for
those users who have some familiarity with the prior user interface) which is a problem
definition navigation system for data input and for viewing results. The proper sequence in
providing data input needs to be considered, and we need to switch to the Properties Navigation
Pane to establish the simulation input in the proper sequence. Click on the Properties button in
the lower left corner. We will use this tree menu system extensively throughout our use of
Aspen.
One failing of the Next Input feature is that it only takes you to areas of the program that it
considers need be satisfied before model execution. Aspen has embedded defaults for many
operational parameters that may not be what we want to use, but do satisfy program consistency
checks. Therefore, you need to be aware of all parts of your problem definition and check that
all such definitions are reflected correctly in the simulation input.
Specifying Simulation Title, Units of Measure...
At the Properties view, Setup lets you give a Title to the project (optional). This SetupSpecifications view, Global tab lets you specify the units of measure to be used for data input
and the presentation of the results. The Setup category also contains many other sub-views,
some of which are established as Properties input and some as Simulation input, most of which
are unimportant at this time. All are considered satisfied for program execution (indicated by the
white check mark in a blue circle to the lower right part of the Setup label.) In the Setup area we
will need to review and possibly alter the standard slate of unit of measure systems (SI,
ENGlish, METric, or METCBAR)
Our pipeline problem appears to be SI based. Click on the Units-Sets, and either click on the
expanded tree menu item of SI or click on the SI label in the Units-Sets table and click Edit.
This will display the units of measure associated with the SI system per Aspens definition of SI.
Note that measurement units are displayed in gray and the dropbox arrows are disabled,
indicating that the unit-of-measure labels cannot be changed. Mass Flow in (kg/sec) is OK, but
we want temperature in C and pressure in kPa.
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Before we go any further we need to create a new Units-Set and populate it with the
appropriate units of measure. If the unit-set is not established before other input is given the old
set of units will be used and create more work in building the simulation model. To make a new
unit set:
Click on Units-Sets
Click New
Enter a name (US-1 is the default here, which stands for Unit-Set 1 and are numbered in
sequence, but any valid name is acceptable.)
Click OK to make this the default or global units-set.
Units of measure for US-1 are copied from one of the existing systems. You can change
which is used. We want to alter the SI starting slate of units by selection of C for
temperature and kPa for pressure, so first set to Copy from SI. Once you leave this
form view further changes are not possible BE SURE ALL UNIT CHANGES ARE MADE
BEFORE PROCEDING TO THE NEXT INPUT.
After making these changes, click on the Setup-Specifications window to ensure US-1 is
selected for the Global Unit Set, and select it if not already identified as the global default.
Selecting Chemical Components
Navigate to the chemical selection and definition part of the program by clicking on the
Components label in the tree-menu, click the Next Input symbol, or press F4. Note that the
half-white / half-red circle indicates at the lower right corner of the Components label indicates
that input definition is required in the category, and more specifically for Specifications within
that category. A white check in a blue circle indicates that data has been given to a sufficient
level to run the simulation, but is no guarantee that the input is correct thats up to the user to
determine. Click on Specifications to be sure the Components Specifications tab is opened.
This allows for selection of chemical species for the simulation.
Selecting chemicals in Aspen is often straightforward, as long as you type in a name that Aspen
recognizes. Generally, you can simply type in the name of the chemical, but you may need to
search for the chemical from a list. Type Methane into the highlighted (light yellow) box,
which turns to a white background when selected, and press the Enter key to fill in the rest of the
row (screen capture on following page.)
The Component ID is used in all displays and is limited to eight characters, that are converted to
all capital letters. The Component name is how the chemical is identified and extracted from
the database and by default takes on the name given for Component ID. If, for instance, you
type ISOPENTANE for the Component name (not the Component ID) then click the Find button
or press the Enter key you will be directed to a chemical component search screen (isoPentane is
recognized as 2-methylbutane in Aspen.) Entering the formula (C5H12) instead of the common
name will bring up a full list of chemicals starting with that formula (be sure the search option is
Begins with). The first occurrence of C5H12 (C5H12-1) is for N-PENTANE, the second
occurrence (C5H12-2) is for 2-METHYL-BUTANE, and the third occurrence (C5H12-3) is 2,2DIMETHYL-PROPANE. A total of 33 chemicals are found to start with C5H12.
Identifying the component as Conventional indicates that this component is a standard type of
chemical substance (different from selection of a petroleum oil or solid material) that is handled
through conventional thermodynamic models.
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To delete a row (in this view and this common way for presenting data within Aspen) click on
the symbol at the left of the row to be deleted, right click to pull up the drop box of options
where Delete Row is one of the options.
Selecting Fluid Property Models (Thermodynamic and Transport Properties)
Press F4 to move to Methods, or click on Methods to expand its view and click on
Specifications. From here, on the Methods-Specifications tab, the Property methods and options
allows for definition of the governing thermodynamic method to use in the simulation.
One of our assumptions in this sample problem is that methane, at these conditions, behaves as
an Ideal Gas. That selection can be made to describe the thermodynamic predictive model to be
used in the simulation calculations. The Ideal Gas Law, though, only describes the P-v-T
relationship and how cp or other properties might be determined, whereas the IDEAL method
invokes a range of additional property determinations. One of the significant advantages of a
simulation program is the detail of thermodynamic modeling that is possible, and otherwise may
be too tedious for hand calculations. We can later change this choice to study the impact of
assuming ideal behavior compared to more realistic gas behavior that might be described by the
Benedict-Webb-Rubin-Starling equation of state, often used for industrial gases.
Choose IDEAL in the Method name: drop box.
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NOTE Selecting IDEAL is misleading, and the same can happen with many of the
thermodynamic models, as to how various thermodynamic properties may actually be

calculated. The Method name: selection is more of a thermodynamic system that
invokes other calculation methods. These individual methods can be reviewed through
the Selected Methods screen as a sub-member of the Methods category (left tree menu
system). Generally, selection of a base method calculates as many of the Aspenrequired properties as possible using that thermodynamic model algorithm.
The Setup, Components, and Methods definition completes the Properties section of
simulation input. We must now switch to the Simulation section by clicking the Simulation
button (lower left) or press F4 to advance to the Next Input (gives and option box selection
guiding the user to the Simulation environment).
Entering Stream Data
After reconciling the PFD and establishing global definition (components and base method), the
Next Input seeks to satisfy all feed stream definitions. Each feed stream data input window will
be given, or you can manually navigate to the desired data input area.
Clicking on the Streams label in the tree menu displays a grid showing the Name, Type and
Status for each stream. In the tree menu view only streams 1 and 2 are shown with the red/white
circle indicating that they require some level of input. Stream 3, the product stream, does not
require any definition because its properties are determined by the mixing block unit operation.
Click on 1 to open the input form. Two of three state properties must be known for an input
stream: Temperature, Pressure, or Vapor Fraction. (NOTE Vapor fraction is very similar to
quality, but be aware that vapor fraction is on a molar basis and quality is on a mass basis.)
Select the Flash Type to be Temperature and Pressure (the default state properties
considered to be known) and enter the temperature (20 C), pressure (600 kPa) and mass
flowrate (100 kg/sec). You will need to change the Total flow basis: to Mass from its default
of Mole. This form will show data input units consistent with what was selected initially for the
problem set of units. If these units are not what you expect, check the Setup area to see if it
needs to be changed. If the Units-Sets setup, previously described, was followed the display
units on this display should be correct. Any possible property unit of measure is always
available throughout data input.
NOTE One of the more common data input errors is in selection of the Total flow or
Composition basis. The default is a molar basis for data input. Our problem definition
is on a mass flow basis. Therefore, first change the flow basis to Mass, and then check
the units of measure that they are correct for the problem definition.
NOTE Total flow allows definition of just that, the total flow of the stream. In this case, input
in the Composition area is typically mass, mole, or volume fraction. If data input in
the Composition area also has a rate attached, these rates will be normalized to match
the Total flow specification. Input is always required for Composition, but may be
optional for Total flow if the Composition is on a rate basis. It is good simulation
practice to input composition and total flow. In this case, the Composition of 100 kg/s
METHANE is a complete definition of the material aspect of this stream.
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The completed screen should look like this:
Note the white check mark in the blue circle for stream 1 indicating that the stream is fully
defined for simulation purposes. Stream 2 still requires definition (red/white circle). Stream
2 should have entries of 30 C, 150 kPa and total flow of 100 kg/sec.
NOTE Generally, Stream input should only be provided for feed streams to the entire process
flowsheet. Streams that are product streams from the various unit operations should
NOT be defined unless iterative aspects of the simulation (recycle streams or other
conditions that benefit from an initial estimate of properties for an intermediate stream)
are warranted. Property values for these streams are re-calculated from the unit
operations that produce the product streams.
Entering Unit Operation Data
Again, the Next Input feature can be used and will move on to satisfy all block definitions. Each
unit operation data input window will be opened or you can manually navigate to the desired
data input area. In this example, we have only one block, the Mixer which has the ID of B1.
Pressing F4 navigates through the tree-menu to Blocks>B1>Input. Before pressing F4 the B1
block indicated it was not yet fully defined for running the simulation (the red/white circle in the
lower right corner of the B1 label), but once F4 was pressed and the Input form opened it
switched to being satisfied (blue circle with white checkmark). Thats because the mixer block
is unique it requires defining only the product stream pressure and starts with a default pressure
drop of zero the mixer block is fully defined once its Input view is opened.
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Each unit operation is unique in the level of data input (specification) that is required, or even
allowed. Every unit operation defines a system boundary within which material and energy
(1st and 2nd law) balances must be maintained. Achieving these balances defines whether the
unit operation is solved. Therefore, most unit operations have a data input window where state
conditions are given. When the simulation is executed each block invokes what is known as a
flash calculation to ensure mass and thermodynamic consistency that the balance equations are
satisfied. Through the flash calculation, a unit operation can alter product stream conditions to
the given unit operation, or product specifications. Such alterations may require the exchange of
energy (positive or negative relative to the unit operation system) beyond what is available in
the flowing system (the mh terms). This energy may be in the form of Heat or Work Energy.
Unless the unit involves work energy Aspen deals in Heat Energy by default, reflected through
what is known as a Duty requirement. (Positive Duty is Heat Energy input to the system.
Negative Duty is Heat Energy extracted from the system.) Aspen cannot interchange heat
energy and work energy, even though these energies are in the same units of measure. Other
simulation programs, though, quite readily allow the interchange of heat and work energy as
being equal, but we know this may not be feasible once a second law entropy analysis is
performed. Aspen performs an entropy balance as part of the solution approach for each unit.
By maintaining material and energy balances on a unit-by-unit basis (within computer
calculation tolerances), overall material and energy balances are also maintained for the entire
process.
The Mixer block has the following input:
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Notice that this unit operation is shown with its label B1 in the tree-menu system and its only
by observing the form header, where it says B1 (Mixer) Input, or looking at labels with the
form that we know its a mixer. Specific to this unit, nothing is required (the Mixer
specifications lists Pressure as 0 by default, in the selected problem units, kPa in this case,) but
addition input is allowed. We see a tab with the header Flash Options. The additional input can
be useful in helping the flash calculation converge by giving a temperature estimate of the
product stream, or tweaking the mathematical convergence parameters. It is risky to loosen the
flash convergence parameters as it begins to compromise the accuracy of the analysis.
As a reminded on the pressure specification for streams and unit operations, entry of 0 for
pressure does not indicate, in this case, that the mixer generates an outlet stream with a pressure
of 0 (a physical impossibility). An entry of 0 or a negative number for pressure has a special
meaning throughout Aspen simulation environment specifically that the pressure drop will be
0 (e.g., psi meaning psia, or in this case as kPa) from the lowest pressure value of all feed, or
inlet streams. For our mixer example, this Mixer specification sets the outlet pressure at 150
kPa, and if the inlet stream pressure were to change the mixer would set the outlet pressure to,
again, the lowest feed stream pressure. Another way to visualize the mixer think of stream 1 as
passes through an expansion value to lower its pressure from 600 kPa to 150 kPa, and then the
two feed streams are mixed isobarically all of that is captured by the single mixer block.
Alternatively, we can hard-code a product specification of 150 kPa and get the same result. A
positive number for pressure is treated as a meaningful pressure in the given units, and will
ensure the outlet pressure is set to this value, regardless of the feed stream pressures. What is
lost in this approach, though, is if the outlet pressure were set at 800 kPa there would realistically
need to be a compressor (with associated work energy input) to pressurize both feed streams to
the product stream condition.
CAUTION
Be sure pressure specifications are realistic!
Running the Simulation Model

Finally, the Next Input feature (F4) will run an overall system analysis to determine if the
problem definition satisfies all input requirements. This certainly is not a guarantee that the
problem is defined according to your problem specifications; only that Aspen can be expected to
solve the problem as defined (the degrees of freedom are zero). If the problem definition
satisfied the degrees of freedom being zero (can possibly be solved), the Next Input feature will
give this sort of message:
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At this point (with the OK click) the Control Panel view is invoked a window where execution
sequence and proceedings can be viewed while Aspen is solving the problem. This window
becomes very useful for complicated process models that involve iterations due to material
streams being fed back from downstream operations as part of the upstream material input (a
recycle stream.) For this example problem, the Control Panel looks like:
(Side note Aspen Plus has an annoying pop-up about invoking an Economic Analysis. Click
the checkbox by the Do not show me message and click the Close button. Unfortunately,
this needs to be done once for each simulation session.)
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In the Control Panel view, if execution errors have occurred there will often be some sort of
cryptic description given in this window (look for a possible scroll bar on the right-hand side
full execution messaging is available.) Execution errors and warnings are also indicated when
viewing the process model results (more on this later). Messages that show up before the
>Calculations begin label are associated with pre-processing and have to do primarily
with the Properties pane information and preliminary Stream flash calculations. Messages that
show up after this >Calculations begin label and before the label of >Simulation
calculations completed have to do with calculations performed for each unit operations and
show progression as the program may cycle through recycle streams. A summary of warnings
and errors for that simulation run follow the >Simulation calculations completed label.
As multiple simulation runs are made (i.e., changes made to the input definition and re-run the
simulation) the execution messaging is simply added to the Control Panel view, making it
difficult to track what happened for the last run.
The simulation can be run, too, from the Ribbon in the Simulation Pane view, the Home tab on
the Ribbon, the Run box. Run is the icon in the Run box, with F5 as its shortcut. Reinitialize
(the symbol, shortcut of Shift+F5) clears past run results and resets (clears) the Control Panel
view. You can also simply clear the Control Panel messages without losing past run
information, which is useful to retain if a small adjustment is being made to the simulation
definition and you want to start the analysis from the previous results. From the same Run box
the Control Panel can be opened (F7), or click on the Control Panel tab.
Examining the Results
In the Run box on the Ribbon (Simulation Pane view, Home tab on the Ribbon, Run box) is a
shortcut to Check Results (looks like a clipboard with a green checkmark) (shortcut is Ctrl+F8),
right below the run button, . This is a shortcut to the Results Summary in the tree-menu
system at the left of the work area. The Run Status > Summary tab is a quick overview that
really only indicates if there are warnings or errors. Look for the results message that
Calculations were completed normally.
More meaningful information is available through the tree-menu system:
Under the Results Summary folder click the Streams folder. The default view is to
Display: All streams and Format: Full. This allows you to look at the composite of all
streams in the simulation model (partial screen capture on following page).
Each unit operation has a Results and a Stream Results folder specific to that unit (partial
screen captures for both for the mixer block are given on the following pages). The stream
summary allows a focused view on material associated directly with that unit without looking
at streams individually, or the entire slate of streams. This is particularly useful when
dealing with many streams in the flowsheet and helps when directly evaluating the material
and energy balances around the unit system boundary.
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Results Summary > Streams:
Blocks > B1 > Results:
Blocks > B1 > Stream Results:
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Results review (along with data input and a variety of other functions) can also be invoked
directly from the flowsheet. A left-mouse click on any stream or block will make it active
(highlighted). A right-mouse click gives options for Input, Results, Stream Results,
etc.
The stream view is consistent from one block to the next, but the level of results provided for the
actual unit performance varies depending on the type and specifics of the unit operation.
From these displays we can now check the validity of simulation results against our preliminary
analysis, and report actual results. Mass conservation is confirmed with the total product stream
flow rate of 200 kg/s (either the Results Summary > Streams or Blocks > B1 > Stream
Results display). Final stream temperature is 25.01C (no need to report more than one or two
decimal places because most temperature measurement instruments in a process are only 0.5 at
best.)
What kind of mixing is occurring? It is obviously not isothermal (constant temperature) or
isobaric (constant pressure). By default, heat energy input to the system is zero. Therefore,
temperature gradient effects are only driven by thermal energy within the flowing material and
the system has undergone adiabatic mixing.
Printing Results
The File / Print function will print the active window if the active window is the Main
Flowsheet, Results Summary Streams, or a unit operation Stream Results view.
Unfortunately, most of the forms are not printable and are for display purposes only, including
the unit operation Input and Results views. Electronic versions of screens can be captures using
the Alt + Print Screen button to copy the active screen view to the clipboard and pasting this
into a Word or other document format.
Making Changes to the Simulation Model
As should have become obvious, you have full access to make changes to any part of the process
model, at any time (except during an execution execution must be stopped before model
changes are made.) To exercise how changes are made, evaluate the question of whether
methane behaves as an ideal gas at these conditions. Change the thermodynamic basis from
IDEAL to RK-SOAVE (the Redlich-Kwong-Soave cubic equation-of-stateAspen has several
variations on the popular cubic equation of state). Changes to this part of the simulation model
are invoked through Properties view, under the Methods > Specifications folder view. IDEAL
shows up in both the Base method and the Methods name drop boxes. Make the change to the
Methods name box and select RK-SOAVE, otherwise the Base method list is filtered by the
Method filter (Common methods in this case).
Once changes are made, click on the Simulation environment (lower left of screen) and use the
Next Input feature (F4) to trigger a new execution, or simply run the model by clicking the Run
button (or F5). Before the run is executed you may have noticed the Streams, Blocks, and
Results Summary folders with a yellow diamond in place of the previous symbols. This
indicates that the input changed and what is displayed on the results views potentially is not
consistent with the new input. The Run approach (F5) does not automatically open the Control
Panel. This can be opened by checking Control Panel in the Run section of the Ribbon, or F7.
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What impact does this new property model (RK-SOAVE) have on the results? Here is a
snapshot of the revised simulation output, Streams. The resulting product stream temperature is
now 23.94 C, or 1.07 C lower than predicted using the ideal gas assumption not an
appreciable difference, but also not necessarily negligible!
Other changes to test:

1. Set the mixer outlet pressure to 250 kPa, using the RK-SOAVE thermo model, what is the
outlet temperature? [Answer: 24.40 C]
2. Reset the thermo method to IDEAL, reset the mixer outlet pressure to 0, and set stream 1 to
conditions of 600 kPa and a saturated vapor (vapor fraction = 1). Run the simulation. What
is the temperature of feed stream 1? [Answer: -134.41 C] What is the temperature of the
mixer out stream? [Answer: -50.75 C]
Saving the Simulation Model
By default, Aspen will save files in an Aspen Plus Compound File format (*.apwz). Another
format is the Aspen Plus Document File format (*.apw), which is really a series of file
extensions that are all related. The Compound file format pulls these individual files into a
single file for ease in moving the file via e-mail attachment or onto flash drives. These file
formats can sometimes get to be quite large and have been know to become unstable and
corrupted (and wont open for later use.) It is recommended that Aspen files be saved in their
Aspen Plus Backup Files format (*.bkp). The backup files are smaller and more stable, but
require preliminary calculations by Aspen when first opened to re-establish environment
variables not a problem and not at all time consuming.
Throughout building the simulation model, or using the model
PERIODICALLY SAVE YOUR WORK
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Invariably, and after an hour or more of tedious data entry and frustration in getting your model
just right, the system will crash. Aspen has been known to simply lock up or freeze in the
middle of an operation. The only way to continue using the application (or sometimes the
computer itself) is to use Ctrl-Alt-Del and terminate Aspen Plus. Try to avoid rebooting the
computer entirely, or if you absolutely need to do so, please be sure to perform a proper
shutdown and reboot sequence (and ask for assistance if you dont know what this means or how
to do it.) BEWARE Aspen is finicky.
Leaving Aspen Plus
Just like any other Windows application use File > Exit or the windows control exit (x in the
upper right corner of the window.) If changes have been made since the last save, or the file has
not previously been saved, you will be prompted to save your work.
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Additional Features in Aspen Plus

The previous section, Using Aspen Plus / Building and Running a Process Simulation Model,
outlines the basics for modeling a process. This section introduces a few of the more useful or
commonly used features available in Aspen Plus to help optimize and fine tune the simulation.
For the examples presented in this section we will start with the basic definition given for the
Example Natural Gas Pipeline Mixing, as shown on page 7 and using the Ideal Gas Law as the
thermo method.
Design Specifications
Some of the unit operations (e.g., some of the distillation column algorithms, in the Columns
block category) include a mechanism for fine-tuning the unit through a spec/vary approach
specify some target value for one of the units parameters and vary another unit parameter until
the spec is met within an allowed tolerance. The same approach is allowed for the entire
flowsheet, and best illustrated by an example:
In our mixing example if we assume streams 1 and 2 are always at their specified
temperature and pressure, exactly, but we want to create a mixed outlet stream at
150 kPa and 28.3 C, what is the flow ratio of the two inlet streams 1 and 2, i.e.,
what m1/m2 yields T3 = 28.3 C?
Intuitively, and as shown in the example simulation, if m1 = m2 the resulting T3 25.0 C. For
this analysis, lets keep m1 = 100 kg/sec and adjust m2 until T3 = 28.3 C. Should m2 be adjusted
up or down from its original value of 100 kg/sec? m2 is at the higher stream temperature of
30 C, so to reach our target product stream temperature of 28.3 C we should expect more
contribution from the m2 stream.
To set up a flowsheet design spec, from the tree-menu system click on Flowsheeting Options to
expand the folder. Then select Design Spec to open the design specification manager. Click the
New button. A unique name identifier must be given to each design spec, and follows a default
naming convention, DS-1 in this case. Click OK for this name, or give a different name in the
dialog box. That brings up the following view (partial screen capture),
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Notice the three tabs for Define, Spec and Vary along the top. We will step through each in
sequence:
Define think of this as a place to assign variable names to specific parameters located in any
part of the flowsheet, much like we give the variable x1 to represent the mole fraction of
component 1 in some particular system (a general thermodynamic variable naming convention.)
In this case, we want to define a variable to the outlet stream temperature, so lets call it T3. To
establish this definition: click New and enter T3 for the variable name and click OK. The
temperature were interested in, although defined by a block specification, is a stream variable.
Click the Stream option to see this view,
We must now give a Reference
Type. This drop box gives a very
cryptic list of stream variable
categories. For the most part the
stream variables we will work with
are Stream-Var. Upon that
selection a new drop box opens up
to select a stream from the list of
streams in the flowsheet. Select
stream 3. Two new drop boxes are
displayed. The first says
Substream MIXED which simply
means the stream can be vapor,
liquid, or a mixed-phase stream.
The other drop box allows a
particular stream variable to be
selected. Choose TEMP, and once chosen the units assigned are shown (and cannot be changed
this must tie to the global set of units.) The symbol to the left of T3 in the Variable name list
box has switched from a white/red circle to a blue circle with a white checkmark,
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Upon closing this Variable Definition view a summary of the variable is shown in the DS-1
view,
We can add to the list of defined variables in case our specification involves multiple flowsheet
parameters. In this example we only need the temperature of stream 3.
Spec click the Spec tab to see a simple form with three text entry boxes labeled: Spec, Target
and Tolerance. Within these boxes we can enter a defined variable (i.e., simply enter T3 for the
Spec and 28.3 for the Target), combinations of variables with simple math operations (e.g., if we
also defined T1 and wanted T3 to be 8.3 greater than T1 we would enter (T3-T1) in the Spec box
and 8.3 in the Target box) and numbers. The Tolerance is how much variation from the Target
value is allowable to consider the specification to have been met. For this example, with a 0.05
C tolerance, the Spec tab view looks like,
Note if you forgot the variable name(s) a right click with the cursor in any of the three text
boxes has an option to display the Variable List.
Vary click the Vary tab and you are first asked to enter the Manipulated variable type through
a drop box selection. Again, this is a very cryptic list. Select Stream-Var, which then
sequentially opens a series of boxes to define that the MASS-FLOW of stream 2 will be varied.
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CAUTION You could just as easily have selected the MOLE-FLOW, but we did not specify the
MOLE-FLOW when that stream was defined. The list of variable is inclusive of all that could be
defined and is not limited to what was actually defined. Be careful to select a vary parameter
that has been defined, otherwise the defined parameters may continually reset any adjustment to
what you selected.
After the Manipulated variable is defined the Lower and Upper Manipulated variable limits. An
obvious lower limit is m2 = 0 kg/sec. A bit more thought needs to go into selecting an allowable
upper limit think about what you would select, and why. These bounds define the range in
which Aspen will adjust the parameter and we need to be aware of the possibility that if the Spec
doesnt meet its Target it could be because a Vary limit was reached. To finish off the Design
Spec definition, the Vary tab looks like,
The simulation can be run (F5) as all input are recognized as complete for this new level of
definition in the simulation model, and the model interface clearly shows the yellow diamonds
on the Streams and Blocks indicating the viewable results may not be consistent with the
modified input. The initial attempt at solving the mixer uses the specified flow rates for both
streams 1 and 2 equal to 100 kg/sec thats what is given in the Stream definitions.
After it runs, scroll through the Control Panel view (following page). A series of iterations are
summarized and a Max Err/Tol number shown for the iteration. This Max Err/Tol number is an
indication of trying to minimize a wide range of balance errors, and is not simply how close the
Spec variable met its Target value. Each iteration represents a re-evaluation of the mixing with
changes made to the m2 flow rate.
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Notice the Iteration number and the

Max Err/Tol value decreasing as a
converged solution is reached.
The Results Summary>Streams shows T3 to be 28.3155 C, within the 28.30 0.05 C range,
and is achieved with a flow rate for stream 2 of m2 = 491.082 kg/s, which is almost at our
specified upper limit of 500 kg/sec.
To test this further, reinitialize (the symbol, shortcut of Shift+F5) forcing the model to
consider m2 to be 100 kg/sec and not the last calculated value of 491.082 kg/sec. Also, change
the upper limit for adjusting m2 to 400 kg/sec (Flowsheeting Options > Design Spec > DS-1 >
Input, select the Vary tab). A warning is observed in the Control Panel,
If you blow past this you may not know that the spec value did not reach its target value.
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Optimization
Another feature in Aspen, similar to the Design Specification as a means to tune a model, is the
Optimization feature. It is found under the Model Analysis Tools folder, Optimization folder.
The input is virtually identical to what was presented for the Design Spec,
The Define tab is the same as for Design Specs. The Vary tab is the same except that multiple
Vary parameters can be set up and you are asked to put in a Variable number (e.g., 1, 2, 3)
for each parameter that can be varied in order to meet the target objective. The Objectives &
Constraints tab is a bit different,
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The Objective function is constructed from Defined Variables (given in the Define tab area) and
can include simple math operators and use of parentheses to nest calculations. This single
function, though, can only be Minimized or Maximized (option buttons) and cannot be pushed
toward a specific numeric target value a Design Spec is used to push toward defined numeric
Spec value.
This tab also allows Constraints to be given, which may navigate to the Model Analysis Tools >
Constraints section for input, or you may need to navigate there on you own,
Again, the Define is the same as weve seen previously. The Spec tab uses defined variables and
can set these to , =, a defined value or other flowsheet variable. Here, the constraint states
T3 24 0.05.
Once a constraint is fully defined it is available in the Objectives and Constraints view of the
Optimization view and simply needs to be moved from the Available constraints list to the
Selected constraints list.
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Using Aspen to Generate Thermodynamic Properties

As presented in the Introduction to Thermodynamics class, and reinforced in the ChEN 357
Chemical Engineering Thermodynamics class, there is a core set of thermodynamic properties
that should be considered: T, P, v (or density, which is 1/v, is used in Aspen), vf (vapor fraction
mole fraction basis, only valid for a saturated liquid to saturated vapor condition, and not
necessarily the same as quality mass fraction basis), h and s. Notice that specific internal
energy, u, is not in this list. Aspen deals with flowing systems that are operating at steady state,
therefore the internal energy term is used only with the flow-work term (Pv work) which is the
specific enthalpy, h. We can also consider the influence of duty (heat energy, Q) and work, W.
Unit Operations as Thermo Property Generators

Many of the fundamental unit operations maintain one or more thermodynamic properties as
constant (or relatively unchanged, or changed to a known degree because of influences such as
efficiency) and are designed to manipulate one or more of the other properties to respond to or
maintain the constancy of the unchanged property. The following table gives a preliminary
assessment. Students are encouraged to think about each of these in more depth what property
is relatively unchanged and what property is dominantly changed.
Unit Operation
Mixers/Splitter
(manipulate the entire stream)
Pressure Changers
(pumps, compressors, expanders)
Pressure Changers
(valves)
Heat Exchangers
(heaters and coolers)
Separators
(2-phase flash, FLASH2)
Constant
Thermo Property
Dominating Varying
Thermo Property
N/A
P and known Q
Two of P, T, vf, and Q
Same list
These unit operations thus become building blocks for evaluating the thermodynamics of a
system. For example
To evaluate the minimum temperature change that can occur during compressing of a gas
from 100 kPa to 2 MPa, a compressor unit can be used with the efficiency set to 1.0 (which is
the 2nd law efficiency, therefore s = 0). This also gives the minimum work required. Actual
work and temperature can be evaluated if the efficiency of the compressor is known.
The amount of specific heat energy needed (i.e., maybe in units of kJ/kg) to vaporize a
saturated liquid water stream (taking it to the saturated vapor state) is determined by setting a
feed stream to the saturated liquid condition (vf=0) at a given T or P and then sending this
stream to a FLASH2 unit (2-phase separate) with operation conditions of vf=1 (saturated
vapor) and either Pressure=0 (isobaric vaporization) or Temperature equal to the feed
temperature (isothermal vaporization). The units duty value is the heat energy required for
achieving complete vaporization.
A streams state is given by specifying two of three possible properties, T, P and vf. To
find the saturation pressure of water at 75 C the stream temperature and vf (any value from 0
to 1, and all values in between) are given and Aspens automatic stream flash calculation as a
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pre-processing step determines the saturation pressure. Remember that multicomponent

mixtures give a range of pressures at this isothermal condition that have a correspondence to
the specified vapor fraction (refer to the next section on Multicomponent Systems).
Furthermore, Design Specification can be constructed that strictly maintain any of these
properties, or ratio of multiple properties, at a set value by manipulating conditions within a unit
operation. This is often the approach needed to evaluate an isochoric (constant density) system.
The more involved unit operations (e.g., distillation columns, multi-pass heat exchangers) are not
as immediately useful for fundamental thermodynamic analyses of a system. Likewise, some
thermodynamic analyses can be done entirely with using any unit operations and are done
through the Property Analysis feature in Aspen.
Property Analysis
Aspen requires a certain level of input for working through a unit operation type of analysis, but
we know that quite a bit of thermodynamic analysis shouldnt need this much input. If I simply
want to evaluate the component distribution in an ethanol/toluene binary in the two-phase region
I should be able to do that without getting into a unit operation definition mode you can!
(Refer to the next section on Multicomponent Systems). Lets see how this is done.
Looking ahead to the Multicomponent Systems section, the ethanol/toluene system has ethanol
as component 1, and toluene as component 2. A yx diagram is shown at P = 1 atm. To consider
a Property Analysis,
1. Create a New, Blank simulation.
2. Be sure the Properties pane view is visible (by default, it should be)
3. Choose the MET Units-Set on the Setup > Specification view. That indicates pressures will
be in atm (and temperatures in K).
4. Navigate to the Components > Specifications view and enter ethanol in the first box under
Component ID, and
toluene in the
second box (that
became visible once
the first box was
filled in) under
Component ID. It
should look like
this:
5. Navigate to the Methods > Specifications view and select UNIQUAC as the Method name.
This will subsequently require that you look at the binary interaction parameters. Press F4 to
navigate to the Next Input. This is a case where the user (you) must look at these values and
by moving on to the next level of analysis you are accepting the shown binary interaction
parameters as being valid (theres a bit of a legal story behind needing to do this.) The view
you should see is,
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6. Switch to the Simulation pane view (lower left corner). The flowsheet is blank and the
Flowsheet folder shows a red/white circle. We will ignore it.
7. Click on the Analysis folder immediately above the Flowsheet folder. This gives another of
the object manager types of views.
8. Select New, which will give an analysis ID of PT-1 which you can rename. Select
PTENVELOPE in the Select type drop box.
Lets evaluate a 50/50 molar mixture of the binary at 1 atm. The screen should look like,
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Click Run analysis. It gives a PT envelope, which in this case is not very interesting, and
possibly not meaningful for the 50/50 mixture at 1 atm. Try changing the mixture to a
different composition mix.
(Evaluating the ethane / n-heptane system is more pronounced and gives PT envelopes very
similar to the figure given in the Multicomponent Systems section that follows this section.
Try changing the above setup to this binary system and evaluate each of the two pure
component vapor pressure curves for ethane and again for n-heptane and for the four
mixture curves shown.)
9. At this level the Analysis Object Manager only four analysis types can be specified using
the New button: GENERIC, PTENVELOPE, RESIDUE (residue curves used in analyzing a
ternary system with azeotropes), and TERDIAGRAM (a ternary system diagram). Instead,
while in the Properties view look at the Ribbon in the Analysis box. It shows the PTenvelope analysis that weve been pursuing above. It also has options for the Pure (Generate
tables and plots for pure component properties) and Binary (Generate Txy, Pxy or
Gibbscurves for a binary system.) Click on Binary. This adds another Analysis object to
the Analysis Object Manager list that is only available through this selection approach. The
Analysis type should be Txy for our system at P=1 atm. The display is,
Simply click Run analysis to generate a table of Txy values at P=1 atm, as well as a plot of
the same. This form allows you to explicitly give the Component 1 and Component 2 to
readily compare results to reported data. You can also specify to generate points within the
two-phase region ; the Lower limit of 0 and Upper limit of 1 represents vapor fraction values
(0 is the saturated liquid line and 1 is the saturated vapor line). The Txy plot looks like this,
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Note the view on the Ribbon is Plot Design. The top tab says BINRY-1 (Binary) - T-xy Plot
and is the associated plot view for Analysis > BINRY-1 > Input (refer to the left-hand treemenu view selection). Click on Analysis > BINRY-1 > Results to get a table of values,
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The table of values can be copied and pasted to an Excel file. Click on the cell immediately
to the left of the PRES box (that is shown above with a gold background). That will select
the entire table (making all cells highlighted in yellow). Ctrl-C will Copy to the clipboard;
open Excel and click the upper left cell in which to start the Paste operation (Ctrl-V). From
Excel, you can generate a yx plot by making the column of LIQUID MOLFRAC ETHANOL
as the x-axis and VAPOR MOLFRAC ETHANOL as the y-axis. Switching to Excel as the
plot engine allows multiple composition plots to be generated onto one plot.
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Additional Properties in the Stream Summary Table

It is sometime helpful to see more extensive thermophysical property information about a stream,
beyond the standard slate of properties reported in the Results Summary > Stream table. To
invoke additional property calculations and reporting in the Stream Summary table is a multistep process. To explore this close any active simulations and open the baseline Example
Natural Gas Pipeline Mixing that was developed in the initial tutorial. Open the file and
immediate save (as a Backup File Format) with the name Example - Natural Gas Pipeline
Mixing with Added Stream Props. Look at the Results Summary > Stream table. The list of
properties is,
If we want to add another property to the display, for example viscosity in units of centipoise
(cP) , the steps to follow are:
Click on the Properties Navigation Pane View.
Click on Prop-Set then click New to add a Property Set (a collection of properties that are
pulled in as part of the analysis). The default naming convention is PS-, so a new
property set named PS-1 is created.
In the table column with header Physical properties move the mouse to the right-hand side
of the cell to have a dropbox symbol appear. Click the symbol to display the list of available
properties. The view should be (partial screen capture),
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Scroll through the list to become familiar with the type and extent of available properties.
Notice that as the cursor moves over each property name a text box appears giving more
detail about the type of property. Select mu. A list of possible units then becomes
available through the Units dropbox, and once cP is selected for this example another Units
box becomes visible so that the property can be shown in multiple units. Lets also select
Pa-sec
The Properties tab is satisfied with one physical property selected. More properties can
likewise be selected and associated with this property set.
The Qualifiers tab shows a variety of input. In this case we are interested in only the vapor
viscosity, so select Vapor under the Phase input. That satisfied the Qualifier tab input and
the entire Prop-Set > PS-1 input,
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Switch the view to the Simulation Navigation Pane view. Select Setup > Report Options
and click on the Stream tab,
Multiple aspects of the Stream Report are set in this view, including the ability to view
components on a mole, mass or standard
volume flow basis; likewise on a fraction basis.
The default view is the molar flow basis. When
dealing with a thermodynamic analysis,
especially for phase equilibria, the molar
fractional basis is necessary.
For including additional property sets in the

Stream Report display click on the Property
Sets button. Move PS-1 from the
Available list to the Selected list >
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Close this form and run the simulation. The stream summary now includes the vapor phase
viscosity, but it looks like we only got a value in cP and not the secondary set of units (we
should track down what happened there, but at least we now see how to bring new properties
into the calculation.) You may need to scroll through the Stream Results list as the added
properties show up at the end of the list. Looks like the viscosity of methane vapor is
relatively constant over this narrow temperature range.
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Multicomponent Systems
(Reference thermodynamic diagrams shown in this section and Appendices are scanned
from Thermodynamics by Smith, Van Ness and Abbott, 5th ed., McGraw-Hill.)
In looking at the thermodynamic behavior of multicomponent systems, and selection of an
appropriate Aspen Properties base Method, we need to extend the concepts that were applied to
thermodynamic method selection (refer to the Generating a Phase Envelope tutorial) for
predicting properties of a pure fluid (i.e., IDEAL, SRK or BWRS to predict properties of
ammonia). For example, a PT diagram for a pure fluid is shown below, on the left. For a multicomponent system, though, the transition between vapor and liquid is not a single, distinct line.
The PT diagram becomes a phase envelope as shown below on the right.
PT diagram for a pure fluid
Portion of a PT diagram for a

multicomponent system
For both, the critical point is at C. For a pure fluid, the critical point is also the point of both
maximum temperature and maximum pressure. In a multicomponent system, these maximum
points are usually not at the critical point, as designated by MT and MP on the diagram. This
creates some interesting phenomena. To the left of the critical point, C, a reduction in pressure
along a line such as BD is accompanied by vaporization from the bubble point (saturated liquid
line) to the dew point (saturated vapor line), as would be expected. However, if the original
temperature is above the critical temperature of the mixture and an expansion process occurs
along the line to point F on the saturated vapor curve, continuing to point H, again on the
saturated vapor curve, we in effect move from a vapor state into the two-phase region, and back
into a vapor region bizarre! This phenomenon is called retrograde condensation, and it has
particular importance in natural gas and petroleum fluid processing, the reasons for which are
addressed in the Natural Gas Processing and Petroleum Processing classes and are beyond the
scope of discussion here.
The dashed curves within the multicomponent phase envelope indicate the fraction of the overall
system that is liquid in a two-phase (vapor/liquid) mixture.
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The dashed curve that is arcing along the top of the phase envelope is the critical locus a line of
position in the PT space where the critical point occurs for the mixture as the composition of the
mixture is adjusted. The significance of this critical locus is best illustrated with a 2-component,
or binary system. In this case, the PT space is a connection between the two pure fluid PT lines,
which is rarely at all linear. The PT diagram for the ethane-heptane system is shown below with
the pure fluid phase transition lines (vapor pressure lines), up to their respective critical points,
shown darker than the binary composition lines. The maximum pressure at which vapor and
liquid phases can coexist is shown by point M along the critical locus. For this system, a
composition of about 77 mole percent ethane defines this maximum pressure point at about
1,263 psia. Notice that the retrograde regions, or maximum temperature / maximum pressure
regions, stay contained within the critical locus.
This diagram is typical for mixtures for non-polar hydrocarbons.
Cubic equations-of-state tend to work well for non-polar hydrocarbon mixtures.
If only the world of thermodynamics was as straight-forward as to be able to use a basic cubic
equation of state. (Remember when we used to say that about using the Ideal Gas Law and
started advocating a switch to considering cubic equations of state instead of the IGL?)
A FLASH2 unit operation is quite useful in evaluating these sorts of 2-phase systems. The
feed stream definition establishes the mixture composition. The feed stream state property
definition (T, P and vf) establish a point somewhere in the PT space, with vf=0 or vf=1
placing the feed stream state on a saturation line. The FLASH2 unit establishes two
additional points. Setting vf=0.5, or something above 0 and below 1, and either T or P gives
two product streams a saturated vapor and a saturated liquid stream, both of which line
on a saturation line.
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When trying to model highly non-ideal systems there are additional thermodynamic terms and
properties that help us understand the significance of the non-ideality, and therefore a suitable
predictive thermodynamic method. Two such terms are given below:
Relative Volatility Before talking about relative volatility we need to define a parameter
known as the K-value. For each component, i, in a multicomponent system, the K-value is
defined as,
y
Ki i
xi
If a component has a tendency to be in the vapor phase more so than in the liquid phase, its Kvalue will be greater than 1. Likewise, if the component has a tendency to be is the liquid phase
rather than the vapor phase its K-value is less than 1. In a multicomponent system in the 2phase region at least one of the K-values must be greater than 1 and at least one of the Kvalues must be less than 1. (At a given T and P, though, one K-value may be > 1 and another
K-value < 1, but this is not sufficient to state that the multicomponent system is in the 2-phase
region.) If all K-values are greater than 1 then the system is really entirely in the vapor phase
and the definition of K-values is no longer physically valid (but it is still theoretically useful to
understand the phase of the system). If all the K-values are less than 1, the system is entirely
liquid. A rigorous flash calculation is needed to determine the phase distribution.
Volatility is a representation of a components tendency to move into the vapor phase in
preference to the liquid phase. The higher the K-value, the more volatile a component. Relative
volatility is just as the name saysrelative to all other components in a system. So where does
the volatility, or K-value for the component of interest fall vapor phase or liquid phase?
For mixtures of non-polar hydrocarbons, the relative volatility order generally remains consistent
across the full range of molar compositions (i.e., in a binary system, if K1 > K2 at a 5 mole % of
component 1 / 95 mole % of component 2 then K1 remains greater than K2 for all molar
percents). This is NOT to say that the difference or ratio between the two K-values is constant,
only that K1 > K2 for all compositions. This is also apparent in a yx diagram when looking at
binary systems (where the more volatile component is listed on the y and x axis). As long as the
y vs. x curve stays above the y = x line the relative volatility remains consistent.
The problem, or significance of the non-ideality, is when the relative volatility shifts between
two or more components while traversing a composition range. In order to be a good predictive
model, the nature of a given thermodynamic equations must be finely tuned to know (or
predict) when this phenomenon occurs. This leads to the definition of an azeotrope
Azeotrope What happens in a binary mixture when the relative volatility is switching?
Answer: at some composition, K1 = K2 = 1.0 (but this does not mean x1 = x2 or y1 = y2). A
boiling liquid at the composition where this occurs produces a vapor of exactly the same
composition as the liquid. When this occurs it is not possible to effect any separation of the two
components. The term azeotrope is used to describe this state. (Note although the system can
be two-phase, neither of the K-values is greater than one. Likewise, neither is less than onethe
only exception to the above phase distribution rule on relative volatility.)
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The diagram to the right shows four

binary systems that are non-ideal.
Systems (b), (c) and (d) exhibit
azeotropic behavior.
Fig 8-13 Equilibrium yx diagrams at a
constant pressure of 1(atm):
(a) tetrahydrofuran(1)-carbon
tetrachloride(2)
(b) chloroform(1)-tetrahydrofuran(2)
(c) furan(1)-carbon tetrachloride(2)
(d) ethanol(1)-toluene(2)
Another metric for non-idealty is to

look at the Pxy diagram. Systems for
which the Px or bubble-point curve on
a Pxy diagram at constant T lie below the linear Px relationship provided by Raoults law are
said to exhibit negative deviations. When the deviations become sufficiently large relative to the
difference between the two pure component vapor pressures, the Px curve exhibits a minimum.
The Py curve also has a minimum at the same point. Thus the dew-point and bubble-point
curves are tangent and x = y (the azeotrope).
To the right are the Pxy diagrams
for the same four systems. In a
similar way, a Txy diagram can be
examined.
Fig. 8-11 Pxy diagrams at a
constant temperature:
(a) tetrahydrofuran(1)-carbon
tetrachloride(2) at 30 C
(b) chloroform(1)tetrahydrofuran(2) at 30 C
(c) furan(1)-carbon
tetrachloride(2) at 30 C
(d) ethanol(1)-toluene(2) at 65 C
Dashed line is Px relationship for
Raoults law.
(Larger copies of all most

diagrams in this section are given
in the appendices.)
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All of this gets to be very involved, but necessary to examine in order to properly understand the
non-ideality of a multicomponent system.
Regardless of whether a multicomponent system is a non-polar mixture (and therefore only
somewhat non-ideal in most situations) or highly non-ideal, the real difficulty is in knowing what
thermodynamic method does a good job in predicting multicomponent phase behavior.
Exploring that issue to any depth is a topic for graduate-level studies. For ChEN 357, and the
associated ChEN 358 computer lab we simply gain an exposure to understanding how to
evaluate the predictive nature of a thermodynamic model in looking at phase equilibrium
behavior and rely on available measured data against which to compare the predictive thermo
models in order to say which models are better than others for a given system.
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Compression/Expansion Operation
ChEN 358 Tutorial
Selecting an appropriate thermodynamic base method isnt always straightforward. The
associated Compression/Expansion Property Calculations exercise looks at retrieving
thermodynamic properties from Aspen, and specifically comparing the calculation of heat
capacities and their ratio to determine a compressibility ratio. To understand how compression
is evaluated in Aspen, lets step through how to analyze this problem:
Consider a scenario where you have been asked by a
refrigeration systems vendor to model one segment of
their system. The system is described as an adiabatic
compressor using Refrigerant-134a (tetrafluoroethane) as
the working fluid. It enters the compressor at 15 psia and
20 F, at a volumetric flow rate of 10 ft3/s, and leaves at a
pressure of 100 psia. The power input to the compressor
is 45 hp with a stated efficiency of 64%.
The process, as defined, may not be feasible or specified
correctly. What do you expect is wrong with the problem
definition and what do you think needs to be changed to
properly define the compressor operation?
= 0.64
After resolving any problem definition errors (i.e., fix the simulation to represent a system that is
properly defined) determine:
The mass flow rate of the refrigerant (lb/s)?
The exit temperature (F)?
The exit volumetric flow rate (ft3/s)?
h=(h2-h1) (Btu/lb)?
s=(s2-s1) (Btu/lb-F)?
What thermodynamic base method did you use, and why?

Before proceeding to the tutorial explanation, starting on the next page, try to set up the
simulation model yourself. Use the tutorial information in pages 1-48 to get you back on track
only when needed, and to check that your setup was indeed a correct approach to modeling the
problem. If you really get stuckturn the page for a step through in how this problem is
modeled in Aspen Plus.
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To model the Compression/Expansion Operation example in Aspen:
Start Aspen. Click New > Blank Simulation > Create. This opens the program for data input
in the Properties navigation pane view, and specifically for Component input.
In the Component ID cell type R134A and press the Enter key. The simulation engine found
the component (and we know this because the Type, Component name and Alias fields were
filled in). The Component section of this simulation is satisfied.
Before going any further, though, lets straighten out the Units. Click on Setup > Units-Sets
and click the New button. The default name of US-1 is OK. In looking at the units used in
the problem definition above they seem to be in line with the ENGlish set of units, so select
the Copy from as ENG. The view is (partial screen capture),
This shows the default units for the ENG set and allows changes. On this Standard tab view
the necessary changes are: Mass flow changed to units of lb/sec and Volume flow changed
to units of cuft/sec. The Temperature and Pressure units are correct. Click on the Heat tab.
Units for Mass enthalpy and Mass entropy are correct (even though the Mass entropy is in
units of Btu/lb-R the temperature is a R which is the same as a F.) Can you find where
to set the power input to units of hp? Its not obvious (click on the Concentration tab why
the tab is called that I have no idea.) Notice the Electric power category gives options for
kW or Watt, whereas the Power category has a more extensive list of units, and hp is the
default. No changes are needed here and the US-1 Units-Set is complete. Press F4 to move
to the Next Input the Methods definition.
What thermodynamic base method should we try, and why? This is a topic of great
uncertainty for many engineers. Notice under the Methods > Specifications section, Global
tab to the right of the Method name input box is a button for Methods Assistant .
Click that button. Click Next and select the Specify component type option. R134a is in
the Refrigerants class. The Methods Assistant suggests using REFPROP, developed by
NIST. Close out of the assistant and select REFPROP in the Method name dropbox.
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F4 allows us to go on. The Simulation navigation pane view is opened where we can build
the compressor (under the Pressure Changers category). Construct the PFD to look
something like this,
The unit was renamed to COMPR (left click on the unit to select it followed by a right click
to Rename Block); streams were likewise renamed. Be careful that the PRODUCT stream is
not connected to the Water Decant port. It is good modeling practice to arrange the PFD so it
has clean lines (minimize zigzags) and is a neat representation of the process.
Click F4 to move to the Streams definition for FEED. If the units are not what you expected
click on Setup and be sure the Global units set is given as US-1. Back at the Streams > Feed
> Input view enter, from the problem statement, enters the compressor at 15 psia and 20
F, at a volumetric flow rate of 10 ft3/s. For many systems it is easier to enter the
composition on a mass or mole fraction basis rather than defining the composition on a flow
basis. The FEED stream input looks like,
Click F4 to move to the Blocks definition for the compressor. A compressor and a turbine
(or expander) are mathematically the same at a fundamental thermodynamic level where the
governing equations are evaluated based on a specified 2nd Law efficiency. This is labeled as
Isentropic even though there may be a s that is not zero because the 2nd Law efficiency is
less than unity. This form view asks for clarification on the unit being a compressor or
turbine, and only because several compressor models are available. Select Isentropic for the
Type and then select one of the five options for the Output specification. In this case we
know the discharge pressure to be 100 psia. After that level of input the unit is satisfied, at
least from the perspective that Aspen has enough information to run the model.
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Spring 2013
We dont want to be fooled here. Position the cursor over the text entry box for Efficiencies,
Isentropic. The pop-up message shown below is displayed (the cursor is lost during the
screen capture),
This message indicates that a hidden default is being invoked that the isentropic efficiency,
or the 2nd Law efficiency is being set to 0.72 which is ( Wideal,s=0 / Wactual ). Our problem
statement gives a 2nd Law efficiency of 0.64, so we will enter it here. The final view of the
COMPR input looks like,
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Spring 2013
Run the model by pressing F4 for a final simulation environment analysis and opening the
Control Panel, or F5 to simply run it. Look first at the Control Panel to be sure there were no
analysis errors,
And then at the COMPR Results,
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Spring 2013
The power input to the compressor is 45 hp with a stated efficiency of 64%, but from the
results we see that the power input (the Net work required:) is 125.2 hp. It was also stated
that The process, as defined, may not be feasible or specified correctly, what do you
expect is wrong with the problem definition and what do you think needs to be changed to
properly define the compressor operation?
To track it down lets determine the minimum work required. Set the Isentropic efficiency to
1, and rerun the simulation. The Net work required: drops to 80.1 hp, which is the
minimum required for the given state properties and flow, and still well above the reported
45 hp. Several things could be wrong, and to get in the right ballpark it is most like either the
inlet conditions are misstated or the outlet pressure is misstated. For this tutorial lets adjust
the outlet pressure and assume the other specifications are correct. As a first pass assume the
outlet pressure is 45 psia (chosen because a typical compression system is based on a factor
of 3 compression from the inlet condition.) For an isentropic efficiency of 1, this shows the
minimum required power is 45.2 hp. But lets go further
At this point the FEED is as originally defined. The COMPR block is set with a discharge
pressure of 45 psia. Also reset the Isentropic efficiency to 0.64 and lets construct a Design
Specification to adjust the COMPR Discharge Pressure until the COMPR Net work required
is 45 hp. Start with a Design Spec under Flowsheeting Options,
Define a variable name to the COMPR Net work required parameter. Notice the input on
the Variable Definition form, and the cryptic Definition given in the grid on the Define tab,
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Spring 2013
Specify that this simulation parameter achieve a value of 45 hp with a tolerance of

approximately 1%,
Vary the COMPR Discharge Pressure. We know an upper limit of 100 psia is more than
sufficient, and 15 psia (the inlet pressure) is a physically meaningful lower limit,
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Spring 2013
Before running the simulation lets reinitialize (Shift + F5) to clear the Control Panel. It took
5 iterations,
To arrive at a discharge pressure of 30.5 psia,
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Spring 2013
We can now answer the remaining questions, and all from the Results Summary > Streams table
of stream properties:
The mass flow rate of the refrigerant (lb/s)?

The mass flow rate of R134a is 3.072 lb/sec (inlet and product stream i.e., a mass balance is
maintained.)
The exit temperature (F)?

TPRODUCT = 76.69 F, which is also given in the COMPR Results view (previous page). That
block level Results view also tells us that the lowest outlet pressure (Isentropic outlet
temperature) is 58.71F.
The exit volumetric flow rate (ft3/s)?

vPRODUCT = 5.426 cuft/sec (the non-sub / nonsuperscript way of representing ft3/sec).
h=(h2-h1) (Btu/lb)?
hPRODUCT - hFEED = -3776.26 (-3786.62) = 10.36 Btu/lb.
s=(s2-s1) (Btu/lb-F)?
sPRODUCT - sFEED = -0.557533 (-0.564601) = 0.007068 Btu/lb-F.
All in all, this level of problem in Aspen should take a student about one hour to work through.
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Spring 2013
Generating a Phase Envelope

ChEN 358 Tutorial
Run a series of Aspen simulations that will help you create a representative phase envelope for
ammonia. Determine hliq and hvapor at the pressure axis label values (i.e., at pressures of 0.1, 0.2,
0.4, 0.6, 0.8, 1.0, 2.0, 4.0, 6.0, 8.0 and 10.0 MPa). Determine the highest pressure value you can
calculate and still show both the liquid phase and vapor phase. You may be able to get as high as
the critical pressure, but dont count on it.
Run the Aspen thermodynamic model analysis using the IDEAL, SRK and BWRS
thermodynamic methods. List your results in a table of hliq and hvapor values (given in kJ/kg, and
corrected so as to match the ammonia phase envelope with hliq = 175 kJ/kg at P = 0.1 MPa see
note below) and plot your results on the attached phase envelope or generated electronically
using a program that can plot multiple lines on one graph. Each of the three thermo models
should be corrected such that hliq = 175 kJ/kg at P = 0.1 MPa for each thermo model. Use a
different color for each model on your graph and be sure to put all three thermo models on one
graph as an overlay to the actual data values.
Add to this plot the generation of two isotherms, at 320 K and at 400 K. Show the isotherm from
P = 0.1 MPa up to 20 MPa. Show the isotherms on the same graph as the phase envelope, using
a dashed line of the same color as used for plotting the phase envelope.
From this analysis answer the following questions:
1. Which model or models do well in the lower pressure region, and why?
2. Which model or models do well in the higher pressure region, and why?
3. Quantify the %error expected from each thermo model to describe the latent heat of
vaporization (hvapor hliq). From this analysis, which model does the best in predicting the
latent heat of vaporization for ammonia?
4. Quantify the %error expected from each thermo model to describe the boiling point
temperature for each pressure. From this analysis, which model does the best in predicting
the phase transition temperature, and therefore the vapor pressure = f (T) relationship for
ammonia?
Note enthalpy and entropy are relative properties, not absolute properties like pressure,
temperature or specific volume. Numeric values for H and S are tied to some reference state
(typically this is T and P) where H ref and S ref are defined values (usually defined as zero). For
direct comparison to the P-H diagram provided, adjust ALL enthalpies reported by Aspen by a
single constant (a different constant is needed for each thermodynamic method) so that hliq = 175
kJ/kg at P = 0.1 MPa.
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Spring 2013
Helpful hints to get started:

Setting up and running a FLASH2 unit operation can give three points on the saturation line
one from the feed stream specification (at a specified pressure and as a saturated vapor or a
saturated liquid) and two from the flash drum (specified to operate at a potentially different
pressure and with a vapor fraction at some value between 0 and 1, but not at either extreme (just
use v.f. = 0.5 to make it easy). That will yield a saturated vapor and a saturated liquid point on
the phase envelope by evaluating the properties of the two product streams from the flash.
As with the previous tutorial, try to approach this problem without simply stepping through the
tutorial.
To generate the phase envelope using Aspen simulations:
After starting a new simulation specify the system as ammonia (Components >
Specifications section), and ensure the units are MPa for pressure, K for temperature, and
kJ/kg for mass enthalpy. Does one of the existing thermo methods offer these units or do you
need to create a new Units-Set? Be sure whatever Units-Set is needed is declared as the
Global unit set in the Setup area of problem definition. Finally, set the thermodynamic
Method to one of the methods of interest. The tutorial instruction herein will analyze the
phase envelope with SRK. By this point, all Properties definition is done and F4 moves to
the Simulation environment.
Lets first evaluate the hliq at P = 0.1 MPa and then both hvap and hliq at P = 0.2 MPa from the
flash drum. The basic flash drum is FLASH2 in the Separators category of unit operations.
The process flow diagram should look something like,
Stream 1 is defined with a pressure of 0.1 MPa and vapor fraction of 0. When using Aspen
to evaluate thermodynamic properties via flow devices the actual flow rate is not important.
Thats because we are concerned with intensive properties.
For Block B1 set the pressure to 0.2 MPa and vapor fraction to 0.5 and run the simulation.
The Control Panel view gives a message about the calculation approach to FREE-WATER.
Our system does not have water, so this message is informational only and does not impact
the results.
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Spring 2013
The Results Summary > Streams view is,
Stream 1 shows hliq = -4234.25 kJ/kg. We need to determine the adjustment factor so that
hliq,1 = 175 kJ/kg. That adjustment factor will be applied to all enthalpy values for the pure
ammonia system evaluated using the SRK cubic equation-of-state. Add 4409.25 to the h
values. In doing so, the hvap at P=0.2 MPa is 1616.69 kJ/kg. From the P-h graph given in the
appendices we expect the hvap value to be ~1570 kJ/kg, so it appears SRK is over predicting
the latent heat of vaporization (hvap - hliq) for ammonia.
The easiest approach to tracking and analyzing the Aspen results is to open an Excel
workbook into which the h values are copied, directly using a cut-and-paste, and the
adjustment made in the workbook.
Now change the vapor fraction of stream 1 to 1.0 (saturated vapor) and the pressure for the
flash drum to 0.4 MPa to give three more points.
Repeat the pressure adjustments to stream 1 and the block until hliq and hvap values are filled
in for all pressures of interest up to 10 MPa.
The critical pressure for ammonia, from the P-h graph, is greater than 10 MPs (its reported
as 11.628 MPa per the reference for that graph). Try a simulation run at 11.0 MPa. As we
closer to the critical point be sure to watch the Control Panel messages. Try 11.5 MPa (the
flash calculations fail at that pressure.) The spreadsheet collection of P, hliq and hvap points
looks like,
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Spring 2013
hadjust = 4409.25
SRK
P (MPa)
11.5
11
10
8
6
4
2
1
0.8
0.6
0.4
0.2
0.1
hliq (kJ/kg)
(Aspen)
(adjusted)
-3121.15
-3101.20
-3214.09
-3365.19
-3499.05
-3640.25
-3817.66
-3949.98
-3986.20
-4029.29
-4084.20
-4165.40
-4234.25
hvap (kJ/kg)
(Aspen)
(adjusted)
1288.10
1308.05
1195.16
1044.06
910.20
769.00
591.59
459.27
423.06
379.96
325.05
243.85
175.00
-2966.66
-2934.53
-2854.46
-2777.40
-2733.80
-2710.34
-2710.86
-2730.86
-2738.93
-2749.86
-2765.70
-2792.56
-2817.96
1442.59
1474.72
1554.79
1631.85
1675.45
1698.91
1698.39
1678.40
1670.32
1659.39
1643.55
1616.69
1591.29
The hliq at P=11.5 MPa seems suspect it does not maintain the expected continuity, whereas
the hvap point is seemingly consistent. At the critical point hliq = hvap, and it appears the two
curves are showing that trend.
To complete the analysis the point on the graph above should be removed and represented by
a smooth line. Thats because the SRK model represents a continuum. The known values
(actual curve) from the appendix P-h graph need to be overlaid for a visual comparison.
Predictions from the IDEAL and BWRS models need to be run and added to the composite
plot, and the entire presentation cleaned up (labels on the axes, etc.)
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Spring 2013
Compression/Expansion Property Calculations

Name:
ChEN 358 Exercise
Evaluating Thermodynamic Properties Using Aspen Plus

1)
Compression processes follow a relationship that the system pressure is related to the
volume by,
PV n = constant
where:
n=1
n = CP/CV
n > CP/CV
for isothermal compression of an ideal gas,

for adiabatic compression of an ideal gas,
for a real gas.
CP/CV is referred to as the compressibility ratio, typically represented by,
CP
CV
1a) Using Aspen Plus, fill in the following tables (T and P given in K and kPa, respectively):
=
literature
IDEAL
SRK
BWRS
LK-Plock
Argon
T = 298.15, P =101.325
1.6697
T = 220,
P =101.325
1.6728
T = 220,
P =5000
2.0494
T = 298.15, P =5000
1.8215
=
Carbon Dioxide
T = 298.15, P =101.325
T = 220,
P =101.325
T = 220,
P =5000
T = 298.15, P =5000
literature
1.2943
1.3486
1.9534
2.1635
IDEAL
SRK
BWRS
LK-Plock
Ethylene
T = 298.15,
T = 220,
T = 220,
T = 298.15,
literature
1.2459
1.3098
1.9560
2.2893
IDEAL
=
SRK
BWRS
LK-Plock
BWRS
LK-Plock
P =101.325
P =101.325
P =5000
P =5000
=
Oxygen
T = 298.15,
T = 220,
T = 220,
T = 298.15,
P =101.325
P =101.325
P =5000
P=5000
Literature
1.3966
1.4030
1.6548
1.4940
IDEAL
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Spring 2013
Compression/Expansion Property Calculations (continued)

1b) Prepare a summary (no more than 2 pages) of your analysis/conclusions drawn in
comparing the different thermodynamic models to the literature values. Include an overall
assessment across the entire T and P range, the accuracy of the models in describing the low
T and low P condition, and the accuracy of the models in describing the higher T and high P
condition.
2a) Using the BWRS thermo method, and starting with the condition of T1 = 200 K and
P1 = 101. 325 kPa, for each of the four gases, determine the following properties:
Carbon
Argon
Dioxide
Ethylene
Oxygen
h1(kJ/kg)
s1(kJ/kg-K)
v1(m3/kg)
2b) Run a simulation to arrive at a pressure of P2 = 5000 kPa following a path of isothermal
compression. Fill the following table:
Carbon
Argon
Dioxide
Ethylene
Oxygen
h 2(kJ/kg)
s 2(kJ/kg-K)
v2(m3/kg)
2c) Run a simulation to arrive at a pressure of P2 = 5000 kPa following a path of isentropic
compression. Fill the following table:
Carbon
Argon
Dioxide
Ethylene
Oxygen
h 2(kJ/kg)
T2(K)
v2(m3/kg)
2d) Prepare a summary (no more than 2 pages) of your analysis/conclusions in running these
cases. If the simulation did not work for a given case then explain why (look for
thermodynamic limitations).
Work Individually
Turn in these 2 pages and the summary analysis write-ups, stapled together.
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Spring 2013
Refrigeration Simple Gas-Flash Configuration

Name:
ChEN 358 Exercise
A gas-flash configuration is often used in an ammonia refrigeration cycle, as shown below,

C
The evaporator operates at

20 C and the condenser
temperature is set at 40 C.
The flash tank pressure is
555 kPa.
a)
Sketch the process points (A-H) on

the pressure-enthalpy diagram.
P (kPa)
555
H (kJ/kg)
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Spring 2013
Refrigeration Simple Gas-Flash Configuration (continued)

b)
Fill in the table (following page) a couple of superheated vapor enthalpies are given and
some properties need not be determined (grayed out):
Stream
A
T (C)
P (kPa)
h (kJ/kg)
s (kJ/kg-K)
vapor
fraction
1,890
C
D
E
F
G
H
1,640
c)
If stream D has a flow rate of 12 kg/hr (entering the flash tank), what percentage of the
flow goes through the primary compressor?
d)
For the flow rates from part c) what is the minimum power required by the primary
compressor, and by the secondary compressor (minimum power occurs with 100%
efficient compression)?
e)
Build an Aspen simulation of this process, using the BWRS thermodynamic method, and
compare the simulation results to the hand calculations. You will need to define an initial
estimate for the flow stream that feeds into the first unit operation being solved, and
possibly at other points within the simulation. Prepare a comparison summary discussion
(brief memorandum of Aspen results vs. hand calculations).
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Spring 2013
Binary Flash Calculations

Name:
ChEN 358 Exercise
Run Aspen Plus simulations that will validate the assumption that a cubic equation-of-state model
works well for a non-polar hydrocarbon mixture by using the RK-SOAVE thermodynamic method in
modeling the binary system of (1) ethane / (2) n-heptane. Specifically, given the following state
conditions, what are the predicted properties from Aspen and how do they compare to your best estimate
from the PT diagram given in the Multicomponent Systems tutorial material?
Given a mixture of 88.7 mole% ethane at 1000 psia, what are the bubble-point and dew-point
temperatures?
Given a mixture of 58.7 mole% ethane at 1000 psia, what are the bubble-point and dew-point
temperatures?
Given a mixture of 77.1 mole% ethane, what is the maximum temperature (0.1 F) that can be
obtained and still be in the 2-phase region? At what pressure is this maximum temperature realized?
Given a mixture of 26.5 mole% ethane, what temperature and pressure defines the mixture critical
point?
Reproduce the two pure vapor pressure lines and the four binary curves using RK-SOAVE in Aspen.
Turn in a tabulation and graphical representation of the lines/curves as well as answering the above four
bullet item questions.
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Spring 2013
Liquefaction
Name:
ChEN 358 Simulation

Linde Dual-Pressure System
Liquefied gases are commonly used for a variety of purposes. For example, liquid propane gas
(LP gas) is used as a domestic fuel. It is transported and stored in a liquid state, and later
vaporized when used as a fuel. Liquid oxygen and separately liquid nitrogen are carried in space
vehicles until needed in a vapor state; re-vaporized for maintaining a suitable living environment
for astronauts. Oxygen is also converted to a liquefied state for transportation and storage in
industrial applications (i.e., in hospitals, high-purity fermentation processes, or pure oxygen used
for aerobic degradation of an organic material). Liquid nitrogen and liquid ammonia are
commonly used in low-temperature refrigeration applications, whereas natural gas is liquefied
for ocean or land transport to areas where the gas-phase fuel is eventually utilized.
Liquefaction results when a gas or gas mixture is cooled to a temperature within the two-phase
region. This approach is also sometimes used to separate gas mixtures into high purity gases.
This may be accomplished in several ways; the more common are:
Through heat exchange at constant pressure.
Expansion in a turbine from which usable work is obtained.
Through a throttling process.
One of the objectives in the

design of a liquefaction process
is to minimize the total work
required, although minimizing
work typically also reduces the
liquid yield. In a single-stage
expansion process only a small
portion of the gas that is
compressed is actually liquefied.
An alternative design is to
incorporate a multi-stage
expansion sequence, bringing the
gas to various intermediate
pressures. The work requirement
for an ideal isothermal
compressor and a perfect gas
would be RT1 ln(P2/P1), so a
reduction in the compression
pressure ratio would decrease the
work requirement. This can be
accomplished using a Linde
dual-pressure system shown
schematically in the following
figure, along with a
representative T-s diagram:
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Spring 2013
The gas is compressed to an intermediate pressure

and then to the high pressure in the cycle after a
return stream has been added. The high-pressure gas
is passed through a three-channel heat exchanger and
expanded to the intermediate pressure at point 5,
where some of the gas is liquefied. The saturated
liquid and vapor are separated in a liquid receiver,
and the vapor is returned to the second compressor
through the three-channel heat exchanger while the
liquid is expanded further to the low pressure of the
cycle.
The liquid yield for this system can be determined by
applying the first law of thermodynamics for steady
state flow to the heat exchanger, the two liquid
receivers, and the two expansion valves. Fixing an
i / m
to a constant
intermediate flowrate ratio m
value is helpful in determining the liquid yield.
The overall effectiveness of the design is typically
quantified by several dimensionless factors. For this
project we will consider the following mass flowrate
ratios as a means of describing the liquefaction
effectiveness:
f
m
f
m
i
m
f
m
m
f m
i
m
For this Aspen Assignment:

a) Through hand calculations using the first law energy balance and mass balances,
determine an expected liquid yield, work requirement per unit mass compressed for the
high-pressure compressor (Btu/lbm) operation, and total work requirement per unit mass
liquefied (Btu/lbm liquefied) for the Linde dual-pressure system operating with nitrogen
as the working fluid between 1 atm and 70 F and 200 atm, with an intermediate pressure
i / m
= 0.8. Design the process
of 20 atm and an intermediate pressure flowrate ratio of m
configuration to liquefy 250 lbm/hr.
b) Confirm these calculations through an Aspen simulation of the same system.
f is
c) Expanding on your Aspen model, find the optimal intermediate pressure (when W / m
i / m
= 0.6, 0.8, and 0.9. Report your
minimized) for intermediate flow rate ratios of m
results in a table of values giving the maximum system flow rate (stream 3), optimal
intermediate compression pressure, mass flowrate ratios, and work requirement to liquefy
a unit mass of nitrogen (Btu/lbm liquefied) in the dual-pressure system, again for a liquid
yield of 250 lbm/hr.
Note the final liquid separator pressure of 1 atm is established by the upstream valve.
Likewise, the intermediate liquid separator pressure is established by the intermediate flash tank
pressure. Both liquid separators are really Flash tanks (FLASH2) operating with P=0 and
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Spring 2013
Duty=0, but the approach to modeling these units may require setting a pressure and vapor
fraction and then evaluating if the duty is essentially negligible.
Note In order to avoid a temperature cross-over in the counter-current heat exchanger the T
between the HOT stream inlet entering and the COLD stream outlets leaving the counter-current
exchanger are kept at 8 F (the two cold streams leaving the counter-current exchanger should
be at the same temperature, and kept at 8 F below the hot stream temperature entering the
exchanger from the high-pressure compressor.) Designation of cold and hot in heat
exchangers is sometimes confusing. A stream is considered a cold stream if it will be heated
up, or considered a hot stream if it will be cooled. The actual temperature of a stream (at
either the inlet or outlet of the exchanger) has no bearing on the designation of cold or hot.
Simulation & Other Preparation Notes:
1. Use the BWRS thermodynamic method in your simulations.
2. You may want to do a bit of independent study in liquefaction processes. Thermodynamic texts often give a good overview, but books specific to natural gas processing or
industrial gas liquefaction may give more insight on what conditions to expect.
Turn In:
1. A Technical Memorandum report format (typed and neatly organized) with a concise, yet
complete presentation of the problem being solved and discussion of your results.
Include a summary of your hand calculations and discussion of how your Aspen model
ties to the schematic shown on the previous page (i.e., similarities, assumptions, etc.)
2. Attach the Process Flow Diagram (PFD) and Results Summary Streams output from
Aspen to support what you have reported in the write-up. Be sure key results are
reported directly in your write-up and not just referred to in an appendix to the report.
3. Attach Aspen results from pertinent unit operations to support what you have reported.
WORK IN A GROUP OF TWO
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Spring 2013
Boiler Operations
Name:
ChEN 358 Simulation
Estimating Boiler Operating Efficiency and Resulting NOx Pollution Production

There are more than 60,000 industrial boilers in use throughout the United States and theyre a
huge source of NOx pollution (predominantly NO and NO2)! Most boilers use some form of
hydrocarbon-based fuel (e.g., pulverized coal, #2 fuel oil, natural gas, methanol, etc.) and use
atmospheric air (assume 21 mol% O2 and 79 mol% N2) as the oxygen source. In this Aspen
simulation you are asked to model the combustion process of a boiler and analyze the results in
sufficient detail to specify an optimal operating scenario.
Known:
Natural gas (92 mol% CH4, 5 mol% C2H6, 1 mol% C3H8, and 2 mol% N2) is
combusted in a boiler with CO2, H2O, CO, NO, and NO2 as possible combustion
products. The following are the theoretical equations representing ideal combustion:
CH 4
2O2
c h
CO2 + 2H 2O
C2 H6 + 7 2 O2 2CO2 + 3H 2O
5O2 3CO2 + 4H 2O
C3H8 +
The combustion chamber is operating at 2,500F. The molar flow rate of air to the
process can be adjusted so as to minimize both the NOx production and CO
production (which are competing objectives). A key operating constraint is that NOx
emissions cannot exceed 90 tons/year for this particular boiler which burns 100
lbmol of natural gas per hour entering the boiler at 40 psia and 70 F.
Find/
1. The theoretical oxygen flow rate (lbmol/hr) for this natural gas composition.
Determine:
2. Defining X as [Actual air molar flow rate / Theoretically required air molar
flow rate], analyze system performance in the range of X = 0.5 2.0 (by
increments of 0.10) by generating the following plots (use Excel to do this).
Show the maximum operating line for NOx emissions when possible on these
plots:
NOx (lbmol/hr) production = f(X)
CO (lbmol/hr) production = f(X)
NOx (lbs) / MMBtu = f(Oxygen content of flue gas, %O2)
Heat duty of the combustion chamber (MMBtu/hr) = f(X)
4. The actual value of X (0.005) where the NOx emission limit is reached.
5. The actual value(s) of X (0.005) where the sum of NOx and CO emissions is
minimized on both a lbmol/hr and a lb/hr basis.
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Spring 2013
Assume:
1. The predicted duty for the combustion process is at a 100% efficiency level
(i.e., all heat from the combustion process is available to heat the contents of
the boiler vessel and to heat the non-reacted gases in the combustion
chamber).
2. The RK-SOAVE thermodynamic method accurately represents fluid
interactions.
3. The ten listed components are the complete Component list.
4. The RGIBBS reactor model sufficiently represents the boiler/reactor
operation.
Present your results in a short memorandum format, including the analysis plots and tables of
numeric results. The Aspen PFD and Stream Summary should be given as attachments. Provide
an explanation of the physical interactions influencing the trends observed in the NOx vs. X and
CO vs. X plots. Also, include a brief summary assessment of the best operating region for the
boiler based on your simulation results.
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Spring 2013
Appendices
Properties of Saturated Liquid and Vapor Ammonia
Thermodynamic Properties of Ammonia P-h Graph
PT Diagram of the Ethane / n-Heptane System
yx Diagram of Four Binaries, at Constant Pressure
Pxy Diagram of Four Binaries, each at a Constant Temperature
Txy Diagram of Four Binaries, each at a Constant Pressure
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Properties of Saturated Liquid and Vapor Ammonia:
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Spring 2013
Thermodynamic Properties of Ammonia P-h Graph:
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Spring 2013
PT Diagram of the Ethane / n-Heptane System:
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Spring 2013
yx Diagram of Four Binaries, at Constant Pressure:
Equilibrium yx diagrams at a constant pressure of 1(atm):

(a) tetrahydrofuran(1)-carbon tetrachloride(2)
(b) chloroform(1)-tetrahydrofuran(2)
(c) furan(1)-carbon tetrachloride(2)
(d) ethanol(1)-toluene(2)
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Pxy Diagram of Four Binaries, each at a Constant Temperature:
Pxy diagrams at a constant temperature:

(a) tetrahydrofuran(1)-carbon tetrachloride(2) at 30 C, (b) chloroform(1)-tetrahydrofuran(2) at 30 C,
(c) furan(1)-carbon tetrachloride(2) at 30 C, and (d) ethanol(1)-toluene(2) at 65 C. Dashed line is Px
relationship for Raoults law.
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Spring 2013
Txy Diagram of Four Binaries, each at a Constant Pressure:
Txy diagrams, all at a constant pressure of 1 atm:

(a) tetrahydrofuran(1)-carbon tetrachloride(2), (b) chloroform(1)-tetrahydrofuran(2),
(c) furan(1)-carbon tetrachloride(2), and (d) ethanol(1)-toluene(2).
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Spring 2013

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ChEN 358

Aspen Computer Lab Workbook

Statements of Intellectual Property Ownership and Copyright Restrictions on the content

Intellectual Property Ownership:

This workbook is made available at no charge to actively registered students in the

Overview of ChEN 358 Computer Labs and Workbook Content

This workbook contains

Instructional and Tutorialcontent that provides a range of detailed, step-by-step tutorials

Exercisesthat are a quick analysis approach to obtaining thermodynamic properties from

ChEN 358 Aspen Computer Lab Workbook

Using this workbook in a self-study format

2. Work through the two Tutorial problems, Compression/Expansion Operation and

ChEN 358 Aspen Computer Lab Workbook

Using Aspen Plus

simulators and drop the use of program.

ChEN 358 Aspen Computer Lab Workbook

Garbage In = Garbage Out

Chemical Process Simulation Programs

from AspenTech (http://www.aspentech.com), Cambridge,

previously from AEA Technologies Hyprotech, Ltd., Calgary,

from Simulation Sciences (http://iom.invensys.com/en/pages/simsciesscor_processengsuite_proii.aspx) in Southern California.

by Bryan Research & Engineering, Inc. (http://www.bre.com).

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

Preparing to Use a Simulation Program

Approximate analysis or solution (e.g., assumption of constant density leads to a

Presentation of your problem outline and results, including assumptions made in

Example Natural Gas Pipeline Mixing

The product stream temperature

ChEN 358 Aspen Computer Lab Workbook

This is the mass average estimate done previously.

ChEN 358 Aspen Computer Lab Workbook

Building and Running a Process Simulation Model

ChEN 358 Aspen Computer Lab Workbook

Simulation Navigation Pane

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

thermodynamic models, as to how various thermodynamic properties may actually be

ChEN 358 Aspen Computer Lab Workbook

The completed screen should look like this:

ChEN 358 Aspen Computer Lab Workbook

Be sure pressure specifications are realistic!

Running the Simulation Model

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

Results Summary > Streams:

Blocks > B1 > Results:

Blocks > B1 > Stream Results:

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

Other changes to test:

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

Additional Features in Aspen Plus

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook

Notice the Iteration number and the

ChEN 358 Aspen Computer Lab Workbook

ChEN 358 Aspen Computer Lab Workbook