| 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 | * Sample file for model pfr |
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| 17 | * |
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| 18 | * |
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| 19 | * Adiabatic Production of Acetic Anhydride with a PFR |
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| 20 | * |
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| 21 | * Based on Example 8-6 of Elements of Chemical Reaction Engineering |
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| 22 | * Second Edition H. Scott Fogler |
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| 23 | * |
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| 24 | * |
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| 25 | *-------------------------------------------------------------------- |
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| 26 | * |
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| 27 | * This sample file needs VRTherm (www.vrtech.com.br) to run. |
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| 28 | * |
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| 29 | *---------------------------------------------------------------------- |
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| 30 | * Author: Rafael de P. Soares |
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| 31 | * Paula B. Staudt |
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| 32 | * $Id: sample_pfr.mso 170 2007-03-01 18:35:36Z bicca $ |
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| 33 | *--------------------------------------------------------------------*# |
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| 34 | |
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| 35 | using "reactors/pfr"; |
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| 36 | |
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| 37 | FlowSheet PFR_AceticAnhydride |
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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",File="vrpp"); |
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| 42 | NComp as Integer; |
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| 43 | |
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| 44 | DEVICES |
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| 45 | |
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| 46 | s1 as source; |
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| 47 | Reac as pfr; |
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| 48 | |
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| 49 | SET |
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| 50 | |
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| 51 | PP.Components = ["acetone", "acetic anhydride", "methane" ]; |
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| 52 | PP.LiquidModel = "PR"; |
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| 53 | PP.VapourModel = "PR"; |
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| 54 | |
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| 55 | NComp = PP.NumberOfComponents; |
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| 56 | |
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| 57 | Reac.NDisc = 10; |
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| 58 | Reac.Across = 0.7 * 'in^2'; |
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| 59 | Reac.L = 2.28 * 'm'; |
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| 60 | Reac.NReac = 1; |
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| 61 | |
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| 62 | # Reaction 1: A -> B + C |
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| 63 | Reac.stoic(:,1) = [-1, 1, 1]; |
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| 64 | |
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| 65 | EQUATIONS |
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| 66 | |
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| 67 | for z in [1:Reac.NDisc] |
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| 68 | |
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| 69 | "Reaction Rate = k*C(1)" |
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| 70 | Reac.r(1,z) = exp(34.34 - (34222 * 'K') / Reac.str(z).T)*'1/s' * Reac.C(1,z); |
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| 71 | |
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| 72 | "Heat of reaction" |
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| 73 | Reac.Hr(1,z) = -80.77 * 'kJ/mol'; |
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| 74 | |
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| 75 | "Pressure Drop (no pressure drop)" |
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| 76 | Reac.str(z+1).P = Reac.str(z).P; |
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| 77 | |
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| 78 | end |
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| 79 | |
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| 80 | SPECIFY |
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| 81 | s1.Outlet.F = 138/1000 * 'kmol/h'; |
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| 82 | s1.Outlet.T = 1035 * 'K'; |
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| 83 | s1.Outlet.P = 1.6 * 'atm'; |
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| 84 | s1.Outlet.z = [1, 0, 0]; |
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| 85 | |
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| 86 | "Adiabatic" |
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| 87 | Reac.q = 0 * 'J/s'; |
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| 88 | |
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| 89 | CONNECTIONS |
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| 90 | |
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| 91 | s1.Outlet to Reac.Inlet; |
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| 92 | |
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| 93 | INITIAL |
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| 94 | |
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| 95 | for z in [2:Reac.NDisc+1] |
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| 96 | |
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| 97 | Reac.str(z).T = Reac.Inlet.T; |
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| 98 | Reac.str(z).z(1:NComp-1) = Reac.Inlet.z(1:NComp-1); |
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| 99 | |
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| 100 | end |
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| 101 | |
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| 102 | OPTIONS |
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| 103 | # This model can be solved in both steady or dynamic |
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| 104 | Dynamic = true; |
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| 105 | TimeStep = 0.05; |
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| 106 | TimeEnd = 3; |
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| 107 | NLASolver = "sundials"; |
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| 108 | #DAESolver = "dassl"; |
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| 109 | end |
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