| 1 | #*--------------------------------------------------------------------- |
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| 2 | * This file is property of the author and cannot be used, copyed |
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| 3 | * or modified without permission. |
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| 4 | * |
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| 5 | * Copyright (C) 2004 the author |
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| 6 | *---------------------------------------------------------------------- |
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| 7 | * Author: Rafael de P. Soares |
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| 8 | * Paula B. Staudt |
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| 9 | * $Id: sample_cstr_PG.mso 6 2005-01-11 17:06:06Z paula $ |
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| 10 | *--------------------------------------------------------------------*# |
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| 11 | |
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| 12 | using "reactors/pfr"; |
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| 13 | |
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| 14 | #* |
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| 15 | * Adiabatic Production of Acetic Anhydride with a PFR |
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| 16 | * |
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| 17 | * Based on Example 8-6 of Elements of Chemical Reaction Engineering |
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| 18 | * Second Edition H. Scott Fogler |
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| 19 | * |
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| 20 | *# |
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| 21 | FlowSheet PFR_AceticAnhydride |
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| 22 | PARAMETERS |
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| 23 | PP as CalcObject(Brief="Physical Properties",File="vrpp"); |
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| 24 | NComp as Integer; |
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| 25 | |
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| 26 | DEVICES |
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| 27 | s1 as streamTP; |
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| 28 | Reac as pfr; |
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| 29 | |
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| 30 | SET |
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| 31 | PP.Components = ["acetone", "acetic anhydride", "methane" ]; |
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| 32 | PP.LiquidModel = "PR"; |
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| 33 | PP.VapourModel = "PR"; |
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| 34 | |
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| 35 | NComp = PP.NumberOfComponents; |
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| 36 | |
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| 37 | Reac.NDisc = 10; |
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| 38 | Reac.Across = 0.7 * "in^2"; |
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| 39 | Reac.L = 2.28 * "m"; |
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| 40 | Reac.NReac = 1; |
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| 41 | |
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| 42 | # Reaction 1: A -> B + C |
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| 43 | Reac.stoic(:,1) = [-1, 1, 1]; |
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| 44 | |
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| 45 | EQUATIONS |
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| 46 | |
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| 47 | for z in [1:Reac.NDisc] |
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| 48 | "Reaction Rate = k*C(1)" |
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| 49 | Reac.r(1,z) = exp(34.34 - (34222 * "K") / Reac.str(z).T)*"1/s" * Reac.C(1,z); |
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| 50 | |
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| 51 | "Heat of reaction" |
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| 52 | Reac.Hr(1,z) = -80.77 * "kJ/mol"; |
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| 53 | |
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| 54 | "Pressure Drop (no pressure drop)" |
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| 55 | Reac.str(z+1).P = Reac.str(z).P; |
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| 56 | end |
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| 57 | |
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| 58 | SPECIFY |
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| 59 | s1.F = 138/1000 * "kmol/h"; |
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| 60 | s1.T = 1035 * "K"; |
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| 61 | s1.P = 1.6 * "atm"; |
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| 62 | s1.z = [1, 0, 0]; |
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| 63 | |
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| 64 | "Adiabatic" |
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| 65 | Reac.q = 0 * "J/s"; |
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| 66 | |
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| 67 | CONNECTIONS |
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| 68 | s1 to Reac.Inlet; |
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| 69 | |
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| 70 | INITIAL |
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| 71 | for z in [2:Reac.NDisc+1] |
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| 72 | Reac.str(z).T = Reac.Inlet.T; |
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| 73 | Reac.str(z).z(1:NComp-1) = Reac.Inlet.z(1:NComp-1); |
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| 74 | end |
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| 75 | |
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| 76 | OPTIONS |
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| 77 | # This model can be solved in both steady or dynamic |
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| 78 | #mode = "steady"; |
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| 79 | time = [0:0.05:3] * "s"; |
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| 80 | NLASolver = "sundials"; |
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| 81 | #DAESolver = "dassl"; |
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| 82 | end |
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