Aspen TutorialProcess Simulation SoftwareTypes of SimulatorsSlide 4AspenSteps to RunThermoPackage ChoiceEric Carlson’s RecommendationsSlide 9Slide 10Bob Seader’s RecommendationsSlide 12Figure 5Figure 6Hyprotech RecommendationsProMax Guidance (5 more pages like this)Problem-1Design SpecWhich System has the most Energy?Problem -2Sensitivity AnalysisProblem 3Problem -4Problem 5Problem 6Problem 7Problem 8Example-9Aspen TutorialTerry A. RingChEN 4253Process 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.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 onceBasic Elements of a Simulation ProgramTowler and Sinnott , “Chemical Engineering Design : Principles , Practice, Economics of Plant and Process Design” , Elsevier (2008)*** - Reaction Engineering, Mass Transfer, Heat Transfer, Fluid MechanicsNumerical MethodsThermodynamicsThermodynamicsOther Subjects : Solid Mechanics, Manufacturing ScienceEconomicsAspen•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)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–ReportThermoPackage Choice•Questions for ThermoPackage Choice•Are the components? –Polar–Non-Polar•System Pressures?–P< 10 atm - ideal gas•Interaction Parameters Available?Eric Carlson’s RecommendationsE?R?P?PolarRealElectrolytePseudo & RealVacuumNon-electrolyteBraun K-10 or idealChao-Seader,Grayson-Streed or Braun K-10Peng-Robinson,Redlich-Kwong-Soave,Lee-Kesler-PlockerElectrolyte NRTLOr PizerSee Figure 2Figure 1PolarityR?Real or pseudocomponentsP?PressureE?ElectrolytesAll Non-polarP?ij?ij?LL?(See alsoFigure 3)P < 10 barP > 10 barPSRKPR or SRK with MHV2Schwartentruber-RenonPR or SRK with WSPR or SRK with MHV2UNIFAC and its extensionsUNIFAC LLEPolarNon-electrolytesNoYesYesLL?NoNoYesYesNoWILSON, NRTL,UNIQUAC and their variancesNRTL, UNIQUACand their variancesLL?Liquid/LiquidP?Pressureij?Interaction Parameters AvailableFigure 2VAP?DP?YesNoWilson, NRTL,UNIQUAC, or UNIFAC* with ideal Gas or RK EOSWilson NRTLUNIQUACUNIFACHexamersDimersWilson, NRTL, UNIQUAC, UNIFAC with Hayden O’Connell or Northnagel EOSWilson, NRTL, UNIQUAC, or UNIFAC with special EOS for HexamersVAP?Vapor Phase AssociationDegrees of PolymerizatiomDP?UNIFAC* and its Extensions Figure 3Bob Seader’s RecommendationsBob Seader’s RecommendationsLG?E?PC?HC?YesYesNoYesSee Figure 5Special: e.g., Sour Water (NH3, CO2, H2S, H2O) Aqueous amine solution with CO2 and H2S PC?NoModified NRTLNoNoPSRKYesNoSee Figure 5See Figure 6HC?HydrocarbonsLG?Light gasesPC?Organic Polar CompoundE?ElectrolyteYesFigure 4Figure 5T?P?BP?Narrow or widePRLKPCryogenic Non- Cryogenic Critical Non-CriticalSRK, PRPR, BWRSVery wideHC and/ or LGP?Pressure regionT?Temperature regionBP?Boiling point range of compoundFigure 6PPS?BIP?AvailableUNIFACYes NoWilsonNRTL, UNIQUACNot AvailablePC with HCPPS?Possible PhaseSplitting BIP?Binary Interaction ParametersHyprotech RecommendationsModel Pure Binary Mixture VLE VLLE NotesEOS (Equation of State)SRK (Soave RedlichKwong)● ● ● ● ● Gas Processing with No Methanol, Refinery DistillationPeng-Robinson● ● ● ● ● Gas Processing with No MethanolSRK Polar● ● ● ● ● Gas Processing with Methanol or NMPPeng-Robinson Polar● ● ● ● ● Gas Processing with Methanol or NMPLee-Kesler● ● ● ● Light Hydrocarbon Systems with H2S and CO2, No 2nd Liquid PhaseTillner-Roth and Friend NH3 + H2O● ● ●Ammonia Absorption Refrigeration, Ammonia and/or Water OnlyProMax Guidance(5 more pages like this)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?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 43Problem -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)(22232sCOHHCOOHCHHCOSensitivity Analysis•Produces Table of Results using a Do Loop to vary one (or more variables)•What Then HowProblem 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 temperaturesOHCHHCO322 Problem -4•Determine the resulting equilibrium at 10 atm and 200 C using an equilibrium reactor in Aspen with both of the reactions listed.)(22232sCOHHCOOHCHHCOProblem 5–Vapor-Liquid Equilibrium•40mole% Ethanol – waterProblem 6•Liquid-Liquid Equilibria–Polar - polarProblem 7•Liquid-Liquid Equilibria–Polar - non-polarProblem 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 resultsExample-9•Distillation/Flash•Methanol – Water–100 lbmole/hr•Flash at 90C, 1 atm•Distillation–R=2–BoilUp