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Aspen Tutorial

Aspen Tutorial. Terry A. Ring ChEN 4253. 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.

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Aspen Tutorial

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  1. Aspen Tutorial Terry A. Ring ChEN 4253

  2. 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. Process Simulation Software

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

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

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

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

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

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

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

  11. Bob Seader’s Recommendations

  12. Yes Yes No Yes Yes No No Yes No No Bob Seader’s Recommendations Figure 4 PSRK HC? Hydrocarbons PC? LG? Light gases E? Electrolyte See Figure 5 LG? PC? Organic Polar Compound See Figure 6 PC? HC? See Figure 5 Modified NRTL E? Special: e.g., Sour Water (NH3, CO2, H2S, H2O) Aqueous amine solution with CO2 and H2S

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

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

  15. Hyprotech Recommendations

  16. 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 To, Po to Tf, Pf • 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 H2

  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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