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 | * Semibatch isotermic reactor |
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17 | *---------------------------------------------------------------------- |
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18 | * Solved problem from Fogler (1999) |
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19 | * Problem number: 4-11 |
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20 | * Page: 171 (Brazilian version, 2002) |
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21 | *---------------------------------------------------------------------- |
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22 | * |
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23 | * Description: |
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24 | * Sample to calculate of the molar concentrations and conversions |
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25 | * as function of the time in a semibatch (or semicontinuous) reactor |
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26 | * with a irreversible second-order reaction: |
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27 | * CNBr + CH3NH2 -> CH3Br + NCNH2 |
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28 | * |
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29 | * Assumptions: |
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30 | * * elementary reaction |
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31 | * * steady-state |
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32 | * * isotermic and isobaric system |
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33 | * * liquid phase |
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34 | * |
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35 | * Specify: |
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36 | * * the inlet stream |
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37 | * * the kinetic parameters |
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38 | * |
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39 | *---------------------------------------------------------------------- |
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40 | * Author: Christiano D. W. Guerra and Rodolfo Rodrigues |
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41 | * $Id: semibatch_reactor.mso 574 2008-07-25 14:18:50Z rafael $ |
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42 | *--------------------------------------------------------------------*# |
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43 | |
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44 | using "types"; |
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45 | |
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46 | |
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47 | FlowSheet reactor |
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48 | PARAMETERS |
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49 | NComp as Integer (Brief="Number of chemical components", Lower=1); |
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50 | stoic(NComp)as Real (Brief="Stoichiometric number"); |
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51 | Vo as volume (Brief="Initial volume"); |
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52 | vo as flow_vol (Brief="Inlet volumetric flow"); |
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53 | Cao as conc_mol (Brief="Initial concentration of A"); |
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54 | |
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55 | VARIABLES |
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56 | C(NComp) as conc_mol (Brief="Concentration", DisplayUnit='mol/l', Lower=0); |
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57 | Co(NComp) as conc_mol (Brief="Inlet concentration", DisplayUnit='mol/l', Lower=0); |
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58 | |
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59 | r(NComp) as reaction_mol (Brief="Rate of reaction", DisplayUnit='mol/l/s'); |
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60 | k as Real (Brief="Specific rate of reaction", Unit='l/mol/s'); |
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61 | V as volume (Brief="Volume", DisplayUnit='l'); |
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62 | X as fraction (Brief="Molar conversion"); |
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63 | |
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64 | EQUATIONS |
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65 | "Molar balance" |
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66 | diff(C) = r + (Co - C)*vo/V; # Co = Inlet condition |
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67 | |
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68 | "Volume" |
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69 | diff(V) = vo; |
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70 | |
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71 | "Rate of reaction" |
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72 | r = stoic*k*C(1)*C(2); |
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73 | |
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74 | "Molar conversion" |
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75 | X = 1 - (C(1)*V)/(Cao*Vo); # Cao = Initial condition |
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76 | |
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77 | SET |
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78 | NComp = 4; # A: cyanogen bromide, B: methylamine, |
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79 | # C: methyl bromide and D: cyanamide |
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80 | stoic = [-1.0, -1.0, 1.0, 1.0]; # A + B -> C + D |
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81 | |
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82 | Vo = 5.00*'l'; |
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83 | vo = 0.05*'l/s'; |
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84 | Cao= 0.05*'mol/l'; # Initial condition |
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85 | |
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86 | SPECIFY |
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87 | k = 2.2*'l/mol/s'; |
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88 | |
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89 | Co = [0.0, 0.025, 0.0, 0.0]*'mol/l'; |
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90 | |
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91 | INITIAL |
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92 | "Molar concentration" |
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93 | C = [0.05, 0.0, 0.0, 0.0]*'mol/l'; |
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94 | "Volume" |
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95 | V = Vo; |
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96 | |
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97 | OPTIONS |
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98 | TimeStep = 5; |
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99 | TimeEnd = 500; |
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100 | end |
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