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Types of Simulators
ProMax Equation Based
Solves block by block
*
Thermodynamics
Numerical Methods Thermodynamics
Towler and Sinnott , Chemical Engineering Design : Principles , Practice, Economics of Plant and Process Design , Elsevier (2008)
Aspen
Aspects of Aspen
Next Button Many units that perform a given function
Degrees of Freedom are chosen for you
Steps to Run
Aspen (Left Hand Bar)
Wiring up Process Title Components Thermopackage Process Flow Sheet
Feed Stream Unit Specifications Fixed degrees of freedom
ThermoPackage Choice
Questions for ThermoPackage Choice Are the components?
Polar Non-Polar
System Pressures?
P< 10 atm - ideal gas
E?
Electrolyte Real
All Non-polar
Polarity
R?
R?
Pseudo & Real
P?
Vacuum
P?
E?
Yes
Figure 2
P < 10 bar ij? (See also Figure 3) Polar Non-electrolytes
NRTL, UNIQUAC and their variances WILSON, NRTL, UNIQUAC and their variances UNIFAC LLE
Yes
LL?
No
Yes
No
P?
LL?
No Yes UNIFAC and its extensions
Pressure
P > 10 bar
ij?
No
Schwartentruber-Renon PR or SRK with WS PR or SRK with MHV2 PSRK PR or SRK with MHV2
Figure 3
Yes
Hexamers
DP?
Dimers
VAP?
No
PC?
No
See Figure 5 See Figure 6
E? PC?
Electrolyte
Organic Polar Compound
LG?
No
Yes
HC?
PC?
No See Figure 5
Yes
Modified NRTL
No
E?
No
Special: e.g., Sour Water (NH3, CO2, H2S, H2O) Aqueous amine solution with CO2 and H2S
Figure 5
Critical Cryogenic PR
P?
Non-Critical
PR, BWRS
Narrow or wide
HC and/ or LG
T?
Non- Cryogenic SRK, PR
BP?
Very wide
LKP
BP? T? P?
Figure 6
Yes
NRTL, UNIQUAC
Available
PPS?
No Wilson
PC with HC
BIP?
Not Available
UNIFAC
BIP? PPS?
Hyprotech Recommendations
ProMax Guidance
(5 more pages like this)
Model Pure Binary Mixture VLE VLLE Notes EOS (Equation of State)
SRK (Soave Redlich Kwong) Peng-Robinson
Gas Processing with No Methanol Gas Processing with Methanol or NMP Gas Processing with Methanol or NMP Light Hydrocarbon Systems with H2S and CO2, No 2nd Liquid Phase
SRK Polar
Problem-1
Problem 5.12 Alternatives in preparing a feed. A process under design requires that 100 lbmol/hr of toluene at 70F and 20 psia be brought to 450 F and 75 psia. Flow sheets using Peng-Robinson
Boil-Superheat-Compress Pump to 75 psi-Boil-Superheat Which process uses the most energy?
Design Spec
What Then How (WtH)
What do I want to specify? What do I want to vary to control it?
Enthalpy change is the same if the end points are the same. Why is Boil then Compress not suggested? Heuristic 43
Problem -2
Use Gibbs CO 2 H 2 CH 3OH Minimization reactor in Aspen to determine CO H 2 H 2O C ( s) the products of reaction at 10 atm and 200 C. Feed equimolar in CO and H2
Sensitivity Analysis
Produces Table of Results using a Do Loop to vary one (or more variables) What Then How
Problem 3
Use Equilibrium Reactor to determine reactor conversion for methanol reaction at 10 atm and 200C
CO 2H 2 CH 3OH
Problem -4
Determine the resulting equilibrium at 10 atm and 200 C using an equilibrium reactor in Aspen with both of the reactions listed.
CO 2 H 2 CH 3OH CO H 2 H 2O C ( s)
Problem 5
Vapor-Liquid Equilibrium
40mole% Ethanol water
Problem 6
Liquid-Liquid Equilibria
Polar - polar
Problem 7
Liquid-Liquid Equilibria
Polar - non-polar
Problem 8
Multiple component phase equilibria
Methane 0.1 mole fraction Ethane 0.2 Propane- 0.3 Butane- 0.3 Methyl ethyl keytone -0.1
Example-9
Distillation/Flash Methanol Water
100 lbmole/hr
Flash at 90C, 1 atm Distillation
R=2 BoilUp Ratio=3