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Aspen Tutorial Terry A. Ring ChEN 4253. Process Simulation Software Steady State Process Simulation –AspenPlus –ProMax –ChemCad –Hysis –HySim –ProSim.

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Presentation on theme: "Aspen Tutorial Terry A. Ring ChEN 4253. Process Simulation Software Steady State Process Simulation –AspenPlus –ProMax –ChemCad –Hysis –HySim –ProSim."— Presentation transcript:

1 Aspen Tutorial Terry A. Ring ChEN 4253

2 Process Simulation Software Steady State Process Simulation –AspenPlus –ProMax –ChemCad –Hysis –HySim –ProSim –CADSim –OLI Process Simulator –KemSimp –Chemical Workbench Code –Ascend IV Dynamic Process Simulation –Aspen Dynamics –CADSim –Simulation Solutions, Inc.

3 Types of Simulators ProMax Equation Based –Solves block by block Aspen Puts all equations into one Matrix equation –Solves all Mass and Energy Balances at once

4 Basic Elements of a Simulation Program Towler and Sinnott, “Chemical Engineering Design : Principles, Practice, Economics of Plant and Process Design”, Elsevier (2008) * * * - Reaction Engineering, Mass Transfer, Heat Transfer, Fluid Mechanics Numerical Methods Thermodynamics Other Subjects : Solid Mechanics, Manufacturing Science Economics

5 Aspen Aspects of Aspen –Next Button –Many units that perform a given function Degrees of Freedom are chosen for you –Setup for kinetic reactions are tricky –Accounts for particle sizes Simple block models –Automatic Plant Costing (Aspen Economics)

6 Steps to Run Aspen ( Left Hand Bar ) –Wiring up Process –Title –Components –Thermopackage –Process Flow Sheet Feed Stream Unit Specifications –Fixed degrees of freedom –Run –Results –Report

7 ThermoPackage Choice Questions for ThermoPackage Choice Are the components? –Polar –Non-Polar System Pressures? –P< 10 atm - ideal gas Interaction Parameters Available?

8 Eric Carlson’s Recommendations E? R? P? Polar Real Electrolyte Pseudo & Real Vacuum Non-electrolyte Braun K-10 or ideal Chao-Seader, Grayson-Streed or Braun K-10 Peng-Robinson, Redlich-Kwong-Soave, Lee-Kesler-Plocker Electrolyte NRTL Or Pizer See Figure 2 Figure 1 Polarity R? Real or pseudocomponents P? Pressure E? Electrolytes All Non-polar

9 P? ij? LL? (See also Figure 3) P < 10 bar P > 10 bar PSRK PR or SRK with MHV2 Schwartentruber-Renon PR or SRK with WS PR or SRK with MHV2 UNIFAC and its extensions UNIFAC LLE Polar Non-electrolytes No Yes LL? No Yes No WILSON, NRTL, UNIQUAC and their variances NRTL, UNIQUAC and their variances LL? Liquid/Liquid P? Pressure ij? Interaction Parameters Available Figure 2

10 VAP? DP? Yes No Wilson, NRTL, UNIQUAC, or UNIFAC* with ideal Gas or RK EOS Wilson NRTL UNIQUAC UNIFAC Hexamers Dimers Wilson, NRTL, UNIQUAC, UNIFAC with Hayden O’Connell or Northnagel EOS Wilson, NRTL, UNIQUAC, or UNIFAC with special EOS for Hexamers VAP? Vapor Phase Association Degrees of Polymerizatiom DP? UNIFAC* and its Extensions Figure 3

11 Bob Seader’s Recommendations

12 LG? E? PC? HC? Yes No Yes See Figure 5 Special: e.g., Sour Water (NH 3, CO 2, H 2 S, H 2 O) Aqueous amine solution with CO 2 and H 2 S PC? No Modified NRTL No PSRK Yes No See Figure 5 See Figure 6 HC? Hydrocarbons LG? Light gases PC? Organic Polar Compound E? Electrolyte Yes Figure 4

13 Figure 5 T? P? BP? Narrow or wide PR LKP Cryogenic Non- Cryogenic Critical Non-Critical SRK, PR PR, BWRS Very wide HC and/ or LG P? Pressure region T? Temperature region BP? Boiling point range of compound

14 Figure 6 PPS? BIP? Available UNIFAC Yes No Wilson NRTL, UNIQUAC Not Available PC with HC PPS? Possible Phase Splitting BIP? Binary Interaction Parameters

15 Hyprotech Recommendations

16 ModelPureBinaryMixtureVLEVLLENotes EOS (Equation of State) SRK (Soave Redlich Kwong) ●●●●● Gas Processing with No Methanol, Refinery Distillation Peng-Robinson ●●●●● Gas Processing with No Methanol SRK Polar ●●●●● Gas Processing with Methanol or NMP Peng-Robinson Polar ●●●●● Gas Processing with Methanol or NMP Lee-Kesler ●●●● Light Hydrocarbon Systems with H 2 S and CO 2, No 2nd Liquid Phase Tillner-Roth and Friend NH3 + H2O ●●● Ammonia Absorption Refrigeration, Ammonia and/or Water Only ProMax Guidance (5 more pages like this)

17 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?

18 Design Spec –What Then How (WtH) What do I want to specify? What do I want to vary to control it?

19 Which System has the most Energy? Moving from T o, P o to T f, P f –STATE PROPERTY Enthalpy change is the same if the end points are the same. Why is Boil then Compress not suggested? Heuristic 43

20 Problem -2 Use Gibbs Minimization reactor in Aspen to determine the products of reaction at 10 atm and 200 C. Feed equimolar in CO and H 2

21 Sensitivity Analysis Produces Table of Results using a Do Loop to vary one (or more variables) What Then How

22 Problem 3 Use Equilibrium Reactor to determine reactor conversion for methanol reaction at 10 atm and 200C Use sensitivity analysis to determine reactor conversion at a suite of temperatures

23 Problem -4 Determine the resulting equilibrium at 10 atm and 200 C using an equilibrium reactor in Aspen with both of the reactions listed.

24 Problem 5 –Vapor-Liquid Equilibrium 40mole% Ethanol – water

25 Problem 6 Liquid-Liquid Equilibria –Polar - polar

26 Problem 7 Liquid-Liquid Equilibria –Polar - non-polar

27 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 –10 atm, 10°C –Use Ideal and Peng Robinson Thermo Pkg. Compare results

28 Example-9 Distillation/Flash Methanol – Water –100 lbmole/hr Flash at 90C, 1 atm Distillation –R=2 –BoilUp Ratio=3


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