| 1 | #*------------------------------------------------------------------- |
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| 2 | * EMSO Model Library (EML) Copyright (C) 2004 - 2007 ALSOC. |
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| 3 | * |
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| 4 | * This LIBRARY is free software; you can distribute it and/or modify |
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| 5 | * it under the therms of the ALSOC FREE LICENSE as available at |
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| 6 | * http://www.enq.ufrgs.br/alsoc. |
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| 7 | * |
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| 8 | * EMSO Copyright (C) 2004 - 2007 ALSOC, original code |
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| 9 | * from http://www.rps.eng.br Copyright (C) 2002-2004. |
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| 10 | * All rights reserved. |
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| 11 | * |
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| 12 | * EMSO is distributed under the therms of the ALSOC LICENSE as |
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| 13 | * available at http://www.enq.ufrgs.br/alsoc. |
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| 14 | * |
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| 15 | *-------------------------------------------------------------------- |
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| 16 | * EMSO Sample file showing an Adiabatic Production of Acetic Anhydride with a PFR and recycle |
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| 17 | * |
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| 18 | * |
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| 19 | * Based on Example 8-6 of Elements of Chemical Reaction Engineering |
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| 20 | * Second Edition H. Scott Fogler |
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| 21 | * |
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| 22 | * |
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| 23 | *-------------------------------------------------------------------- |
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| 24 | * |
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| 25 | * This sample file needs VRTherm (www.vrtech.com.br) to run. |
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| 26 | * |
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| 27 | *---------------------------------------------------------------------- |
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| 28 | * Author: Rafael de P. Soares |
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| 29 | * Paula B. Staudt |
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| 30 | * Gerson B. Bicca |
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| 31 | * $Id: sample_process.mso 213 2007-03-15 19:40:55Z rafael $ |
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| 32 | *--------------------------------------------------------------------*# |
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| 33 | using "heat_exchangers/heater"; |
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| 34 | using "heat_exchangers/Mheatex"; |
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| 35 | using "reactors/pfr"; |
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| 36 | |
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| 37 | FlowSheet AceticAnhydride_Process |
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| 38 | |
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| 39 | PARAMETERS |
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| 40 | |
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| 41 | PP as Plugin (Brief="Physical Properties", |
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| 42 | Type = "PP", |
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| 43 | Components = ["acetone", "acetic anhydride", "methane"], |
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| 44 | LiquidModel = "PR", |
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| 45 | VapourModel = "PR" |
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| 46 | ); |
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| 47 | NComp as Integer; |
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| 48 | |
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| 49 | DEVICES |
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| 50 | |
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| 51 | Feed as simple_source; # A Feed Stream |
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| 52 | Mheater as Mheatex; # A Multi-stream Heat Exchanger |
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| 53 | Cooler as cooler; # A Cooler |
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| 54 | Heater as heater; # A heater |
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| 55 | Reac as pfr; # A PFR Reactor |
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| 56 | Product as sink; # Product |
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| 57 | Heat_1 as energy_source; # Heat Supplied |
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| 58 | Cold_2 as energy_source; # Cold Supplied |
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| 59 | SET |
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| 60 | |
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| 61 | NComp = PP.NumberOfComponents; |
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| 62 | Mheater.Nhot = 1; |
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| 63 | Mheater.Ncold = 1; |
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| 64 | Heater.Ninlet = 1; |
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| 65 | Cooler.Ninlet = 1; |
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| 66 | Heater.Kvalues = "no";# Faster convergence |
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| 67 | Cooler.Kvalues = "no";# Faster convergence |
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| 68 | Mheater.FlowDirection = "counter"; |
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| 69 | |
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| 70 | Reac.NDisc = 10; |
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| 71 | Reac.Across = 0.7 * 'in^2'; |
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| 72 | Reac.L = 2.28 * 'm'; |
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| 73 | Reac.NReac = 1; |
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| 74 | |
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| 75 | # Reaction 1: A -> B + C |
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| 76 | Reac.stoic(:,1) = [-1, 1, 1]; |
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| 77 | |
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| 78 | EQUATIONS |
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| 79 | |
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| 80 | for z in [1:Reac.NDisc] |
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| 81 | |
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| 82 | "Reaction Rate = k*C(1)" |
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| 83 | Reac.r(1,z) = exp(34.34 - (34222 * 'K') / Reac.str(z).T)*'1/s' * Reac.C(1,z); |
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| 84 | |
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| 85 | "Heat of reaction" |
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| 86 | Reac.Hr(1,z) = -80.77 * 'kJ/mol'; |
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| 87 | |
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| 88 | "Pressure Drop (no pressure drop)" |
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| 89 | Reac.str(z+1).P = Reac.str(z).P; |
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| 90 | |
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| 91 | end |
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| 92 | |
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| 93 | SPECIFY |
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| 94 | |
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| 95 | Feed.Outlet.F = 1 * 'kmol/h'; |
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| 96 | Feed.Outlet.T = 350 * 'K'; |
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| 97 | Feed.Outlet.P = 1.6 * 'atm'; |
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| 98 | Feed.Outlet.z = [1, 0, 0]; |
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| 99 | |
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| 100 | Mheater.Method.Fc = 1; |
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| 101 | Mheater.OutletCold(1).T = 400*'K'; |
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| 102 | |
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| 103 | Mheater.OutletHot(1).P = 1.5 * 'atm'; |
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| 104 | Mheater.OutletCold(1).P = 1.6 * 'atm'; |
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| 105 | |
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| 106 | Heater.Outlet.T = 1035*'K'; |
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| 107 | Heater.Outlet.P = 1.6 * 'atm'; |
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| 108 | |
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| 109 | Cooler.Outlet.T = 400*'K'; |
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| 110 | Cooler.Outlet.P = 1.5 * 'atm'; |
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| 111 | |
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| 112 | Reac.q = 0 * 'J/s'; |
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| 113 | |
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| 114 | CONNECTIONS |
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| 115 | |
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| 116 | Feed.Outlet to Mheater.InletCold(1); |
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| 117 | Mheater.OutletCold(1) to Heater.Inlet(1); |
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| 118 | Heater.Outlet to Reac.Inlet; |
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| 119 | Reac.Outlet to Mheater.InletHot(1); |
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| 120 | Mheater.OutletHot(1) to Cooler.Inlet(1); |
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| 121 | Cooler.Outlet to Product.Inlet; |
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| 122 | Heat_1.OutletQ to Heater.InletQ; |
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| 123 | Cold_2.OutletQ to Cooler.InletQ; |
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| 124 | |
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| 125 | INITIAL |
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| 126 | |
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| 127 | for z in [2:Reac.NDisc+1] |
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| 128 | |
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| 129 | Reac.str(z).T = Reac.Inlet.T; |
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| 130 | Reac.str(z).z(1:NComp-1) = Reac.Inlet.z(1:NComp-1); |
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| 131 | |
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| 132 | end |
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| 133 | |
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| 134 | OPTIONS |
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| 135 | TimeStep = 0.05; |
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| 136 | TimeEnd = 10; |
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| 137 | Dynamic = true; |
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| 138 | DAESolver( |
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| 139 | File = "dasslc", |
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| 140 | RelativeAccuracy = 1e-4 |
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| 141 | ); |
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| 142 | end |
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