2Process Simulation Software Steady State Process SimulationAspenPlusProMaxChemCadHysisHySimProSimCADSimOLI Process SimulatorKemSimpChemical Workbench CodeAscend IVDynamic Process SimulationAspen DynamicsCADSimSimulation Solutions, Inc.
3Types of Simulators ProMax Equation Based Aspen Solves block by blockAspenPuts all equations into one Matrix equationSolves all Mass and Energy Balances at once
4* * Basic Elements of a Simulation Program Thermodynamics Numerical MethodsThermodynamicsOther Subjects : Solid Mechanics, Manufacturing ScienceEconomics* - Reaction Engineering, Mass Transfer, Heat Transfer, Fluid MechanicsTowler and Sinnott , “Chemical Engineering Design : Principles , Practice, Economics of Plant and Process Design” , Elsevier (2008)
5Aspen Aspects of Aspen Next Button Many units that perform a given functionDegrees of Freedom are chosen for youSetup for kinetic reactions are trickyAccounts for particle sizesSimple block modelsAutomatic Plant Costing (Aspen Economics)
6Steps to Run Aspen (Left Hand Bar) Wiring up Process Title Components ThermopackageProcess Flow SheetFeed StreamUnit SpecificationsFixed degrees of freedomRunResultsReport
7ThermoPackage Choice Questions for ThermoPackage Choice Are the components?PolarNon-PolarSystem Pressures?P< 10 atm - ideal gasInteraction Parameters Available?
9Figure 2 LL? ij? P? LL? ij? Yes NRTL, UNIQUAC and their variances Yes WILSON, NRTL,UNIQUAC andtheir variancesij?(See alsoFigure 3)P < 10 barNoYesNoUNIFAC LLEP?LL?PolarNon-electrolytesP > 10 barNoUNIFAC and itsextensionsSchwartentruber-RenonPR or SRK with WSPR or SRK with MHV2LL?YesLiquid/Liquidij?P?PressureNoPSRKPR or SRK with MHV2ij?Interaction ParametersAvailable
10Figure 3 DP? Wilson, NRTL, UNIQUAC, or UNIFAC with special EOS for HexamersFigure 3HexamersDP?YesWilson, NRTL, UNIQUAC,UNIFAC with Hayden O’Connellor Northnagel EOSDimersVAP?WilsonNRTLUNIQUACUNIFACWilson, NRTL,UNIQUAC, or UNIFAC*with ideal Gas or RK EOSNoVAP?Vapor Phase AssociationUNIFAC* and its ExtensionsDP?Degrees of Polymerizatiom
16ProMax Guidance (5 more pages like this) ModelPureBinaryMixtureVLEVLLENotesEOS (Equation of State)SRK (Soave Redlich Kwong)●Gas Processing with No Methanol, Refinery DistillationPeng-RobinsonGas Processing with No MethanolSRK PolarGas Processing with Methanol or NMPPeng-Robinson PolarLee-KeslerLight Hydrocarbon Systems with H2S and CO2, No 2nd Liquid PhaseTillner-Roth and Friend NH3 + H2OAmmonia Absorption Refrigeration, Ammonia and/or Water Only
17Problem-1Problem 5.12Alternatives 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-RobinsonBoil-Superheat-CompressPump to 75 psi-Boil-SuperheatWhich process uses the most energy?
18Design Spec What Then How (WtH) What do I want to specify? What do I want to vary to control it?
19Which System has the most Energy? Moving from To, Po to Tf, PfSTATE PROPERTYEnthalpy change is the same if the end points are the same.Why is Boil then Compress not suggested? Heuristic 43
20Problem -2Use Gibbs Minimization reactor in Aspen to determine the products of reaction at 10 atm and 200 C.Feed equimolar in CO and H2
21Sensitivity AnalysisProduces Table of Results using a Do Loop to vary one (or more variables)What Then How
22Problem 3Use Equilibrium Reactor to determine reactor conversion for methanol reaction at 10 atm and 200CUse sensitivity analysis to determine reactor conversion at a suite of temperatures
23Problem -4Determine the resulting equilibrium at 10 atm and 200 C using an equilibrium reactor in Aspen with both of the reactions listed.
24Problem 5Vapor-Liquid Equilibrium40mole% Ethanol – water