| 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) 2002-2004 the author |
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| 6 | *---------------------------------------------------------------------- |
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| 7 | * Author: Paula Bettio Staudt and Rafael de Pelegrini Soares |
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| 8 | * $Id: sample_feed_batch.mso 1 2006-06-20 17:33:53Z rafael $ |
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| 9 | *---------------------------------------------------------------------- |
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| 10 | * |
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| 11 | * Sample file for a feed-batch reactor. |
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| 12 | * |
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| 13 | *-------------------------------------------------------------------*# |
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| 14 | |
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| 15 | |
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| 16 | using "feed_batch"; |
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| 17 | |
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| 18 | FlowSheet SampleBatch as feed_batch |
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| 19 | PARAMETERS |
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| 20 | NoComps as Integer(Brief="Number of components"); |
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| 21 | k1 as Real(Unit="(l/mol)^3.5/min", Default=18.7); |
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| 22 | k2 as Real(Unit="l/mol/min", Default=0.58); |
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| 23 | k3 as Real(Unit="(l/mol)^2/min", Default=0.09); |
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| 24 | k4 as Real(Unit="(l/mol)^1.5/min", Default=0.42); |
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| 25 | Ks as inv_conc_mol(Default=115.83); |
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| 26 | K as Real(Default=34.4); |
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| 27 | kla as flow_vol(Default=3.3); |
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| 28 | H as inv_conc_mol(Default=737); |
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| 29 | pCO2; |
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| 30 | |
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| 31 | VARIABLES |
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| 32 | C6 as conc_mol(Brief="Special component concentration"); |
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| 33 | |
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| 34 | SET |
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| 35 | NoComps = 5; |
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| 36 | NoReacs = 5; |
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| 37 | stoic(1,:) = [-2, 1, -1, -1, 0 ]; |
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| 38 | stoic(2,:) = [-0.5, 0, 0, -1, -0.5]; |
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| 39 | stoic(3,:) = [1, -1, 1, 0, 0 ]; |
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| 40 | stoic(4,:) = [0, -1, 1, -2, 0 ]; |
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| 41 | stoic(5,:) = [0, 1, -1, 0, 1 ]; |
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| 42 | pCO2 = 0.9; |
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| 43 | |
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| 44 | EQUATIONS |
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| 45 | "Fin" |
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| 46 | Fin.F = kla*(pCO2/H-C(2)); |
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| 47 | "Taxas" |
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| 48 | r(1)=k1 * C(1)^4 * sqrt(C(2)); |
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| 49 | r(2)=k2 * C(3) * C(4); |
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| 50 | r(3)=k2/K * C(1) * C(5); |
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| 51 | r(4)=k3 * C(1) * C(4)^2; |
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| 52 | r(5)=k4 * C6^2 * sqrt(C(2)); |
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| 53 | |
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| 54 | "C6 Equilibrium" |
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| 55 | C6 = Ks * C(1) * C(4); |
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| 56 | |
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| 57 | SPECIFY |
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| 58 | "Feed conditions" |
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| 59 | Fin.T = 300*"K"; |
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| 60 | Fin.P = 1*"atm"; |
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| 61 | Fin.h = 0*"J/mol"; |
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| 62 | Fin.z = [0,1,0,0,0]; |
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| 63 | |
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| 64 | "Reactor volume" |
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| 65 | Vr = 1 * "l"; |
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| 66 | |
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| 67 | "Isothermic" |
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| 68 | Hr = 0 * "J/mol"; |
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| 69 | q = 0 * "W"; |
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| 70 | T = Fin.T; |
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| 71 | P = Fin.P; |
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| 72 | |
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| 73 | INITIAL |
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| 74 | "Initial concentration" |
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| 75 | C=[0.444, 0.00122, 0, 0.007, 0] * "mol/l"; |
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| 76 | "Initial energy" |
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| 77 | h = 0 * "J/mol"; |
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| 78 | |
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| 79 | OPTIONS |
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| 80 | integration = "index1"; |
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| 81 | outputLevel = "high"; |
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| 82 | time = [0:10:180] * "min"; |
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| 83 | end |
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