| 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 a isotermic batch reactor (model batch_isotermic). |
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| 17 | *---------------------------------------------------------------------- |
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| 18 | * Author: Paula Bettio Staudt |
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| 19 | * Rafael de Pelegrini Soares |
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| 20 | * $Id: sample_batch.mso 82 2006-12-08 20:11:44Z paula $ |
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| 21 | *-------------------------------------------------------------------*# |
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| 22 | |
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| 23 | using "reactors/batch"; |
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| 24 | |
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| 25 | FlowSheet SampleBatch |
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| 26 | PARAMETERS |
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| 27 | NComp as Integer(Brief="Number of components"); |
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| 28 | |
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| 29 | DEVICES |
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| 30 | feed as stream; |
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| 31 | reac as batch_isotermic; |
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| 32 | |
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| 33 | CONNECTIONS |
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| 34 | feed to reac.Inlet; |
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| 35 | |
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| 36 | PARAMETERS |
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| 37 | k1 as Real(Unit="(l/mol)^3.5/min", Default=18.7); |
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| 38 | k2 as Real(Unit="l/mol/min", Default=0.58); |
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| 39 | k3 as Real(Unit="(l/mol)^2/min", Default=0.09); |
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| 40 | k4 as Real(Unit="(l/mol)^1.5/min", Default=0.42); |
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| 41 | Ks as inv_conc_mol(Default=115.83); |
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| 42 | K as Real(Default=34.4); |
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| 43 | kla as flow_vol(Default=3.3); |
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| 44 | H as inv_conc_mol(Default=737); |
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| 45 | pCO2; |
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| 46 | |
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| 47 | VARIABLES |
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| 48 | C6 as conc_mol(Brief="Special component concentration"); |
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| 49 | |
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| 50 | SET |
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| 51 | NComp = 5; |
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| 52 | reac.NReac = 5; |
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| 53 | pCO2 = 0.9; |
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| 54 | |
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| 55 | reac.stoic(1,:) = [-2, 1, -1, -1, 0 ]; |
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| 56 | reac.stoic(2,:) = [-0.5, 0, 0, -1, -0.5]; |
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| 57 | reac.stoic(3,:) = [1, -1, 1, 0, 0 ]; |
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| 58 | reac.stoic(4,:) = [0, -1, 1, -2, 0 ]; |
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| 59 | reac.stoic(5,:) = [0, 1, -1, 0, 1 ]; |
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| 60 | |
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| 61 | EQUATIONS |
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| 62 | "Inlet Flow" |
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| 63 | feed.F = kla*(pCO2/H-reac.C(2)); |
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| 64 | |
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| 65 | "Reaction rates" |
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| 66 | reac.r(1)=k1 * reac.C(1)^4 * sqrt(reac.C(2)); |
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| 67 | reac.r(2)=k2 * reac.C(3) * reac.C(4); |
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| 68 | reac.r(3)=k2/K * reac.C(1) * reac.C(5); |
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| 69 | reac.r(4)=k3 * reac.C(1) * reac.C(4)^2; |
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| 70 | reac.r(5)=k4 * C6^2 * sqrt(reac.C(2)); |
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| 71 | |
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| 72 | "C6 Equilibrium" |
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| 73 | C6 = Ks * reac.C(1) * reac.C(4); |
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| 74 | |
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| 75 | SPECIFY |
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| 76 | "Feed conditions" |
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| 77 | feed.T = 300*"K"; |
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| 78 | feed.P = 1*"atm"; |
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| 79 | feed.h = 0*"J/mol"; |
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| 80 | feed.v = 0; |
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| 81 | feed.z = [0,1,0,0,0]; |
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| 82 | |
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| 83 | "Reactor volume" |
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| 84 | reac.Vr = 1 * "l"; |
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| 85 | |
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| 86 | INITIAL |
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| 87 | "Initial concentration" |
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| 88 | reac.C=[0.444, 0.00122, 0, 0.007, 0] * "mol/l"; |
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| 89 | |
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| 90 | OPTIONS |
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| 91 | time = [0:100:180*60]; |
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| 92 | end |
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