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 574 2008-07-25 14:18:50Z rafael $ |
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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_isothermic; |
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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.T = 300*'K'; |
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77 | feed.P = 1*'atm'; |
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78 | feed.h = 0*'J/mol'; |
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79 | feed.v = 0; |
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80 | feed.z = [0,1,0,0,0]; |
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81 | |
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82 | reac.Vr = 1 * 'l'; |
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83 | |
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84 | INITIAL |
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85 | "Initial concentration" |
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86 | reac.C=[0.444, 0.00122, 0, 0.007, 0] * 'mol/l'; |
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87 | |
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88 | OPTIONS |
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89 | TimeStep = 100; |
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90 | TimeEnd = 180*60; |
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91 | end |
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