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 | * Expressing Cj=hj(X) |
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17 | *---------------------------------------------------------------------- |
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18 | * Solved problem from Fogler (1999) |
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19 | * Problem number: 3-7 |
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20 | * Page: 87 (Brazilian edition, 2002) |
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21 | *---------------------------------------------------------------------- |
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22 | * |
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23 | * Description: |
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24 | * Expressing of the molar concentration as function of molar |
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25 | * conversion for a continuous reactor which occurs the oxidation |
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26 | * reaction: |
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27 | * 2SO2 + O2 -> 2SO3 |
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28 | * |
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29 | * Assumptions: |
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30 | * * steady-state |
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31 | * * isotermic and isobaric system |
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32 | * * gaseous phase |
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33 | * |
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34 | * Specify: |
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35 | * * the inlet stream (z,P,T) |
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36 | * * the parameters of reaction |
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37 | * * the outlet conversion |
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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: oxidation_of_so2.mso 171 2007-03-02 13:06:53Z bicca $ |
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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 | #*--------------------------------------------------------------------- |
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48 | * Model of a stream |
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49 | *--------------------------------------------------------------------*# |
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50 | |
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51 | Model stream |
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52 | PARAMETERS |
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53 | outer NComp as Integer (Brief="Number of chemical components", Lower=1); |
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54 | |
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55 | VARIABLES |
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56 | C(NComp)as conc_mol(Brief="Concentration", Unit='mol/l', Lower=0); |
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57 | z(NComp)as fraction(Brief="Molar fraction"); |
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58 | end |
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59 | |
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60 | |
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61 | #*--------------------------------------------------------------------- |
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62 | * Example 3-7: Cj=hj(X) |
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63 | *--------------------------------------------------------------------*# |
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64 | |
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65 | FlowSheet pfr |
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66 | PARAMETERS |
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67 | NComp as Integer; |
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68 | stoic(NComp) as Real(Brief="Stoichiometric coefficients"); |
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69 | k as Real (Brief="Specific rate of reaction", Unit='l/mol/s'); |
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70 | R as Real (Brief="Universal gas constant", Unit='atm*l/mol/K', Default=0.082); |
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71 | |
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72 | VARIABLES |
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73 | Inlet as stream; |
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74 | Outlet as stream; |
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75 | X as fraction (Brief="Molar conversion", Lower=0); |
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76 | r as reaction_mol (Brief="Rate of reaction of A", Unit='mol/l/s'); |
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77 | T as temperature (Brief="Temperature", Unit='K'); |
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78 | P as pressure (Brief="Pressure", Unit='atm'); |
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79 | Theta(NComp)as Real (Brief="Parameter Theta"); |
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80 | epsilon as Real (Brief="Parameter epsilon"); |
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81 | |
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82 | EQUATIONS |
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83 | "Change time in X" |
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84 | X = time*'1/s'; |
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85 | |
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86 | "Outlet molar fraction" |
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87 | Outlet.C = Outlet.z*sum(Outlet.C); |
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88 | |
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89 | "Inlet concentration" |
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90 | Inlet.C = Inlet.z*P/(R*T); |
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91 | |
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92 | "Outlet concentration" |
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93 | Outlet.C = Inlet.C(1)*(Theta + stoic*X)/(1 + epsilon*X); |
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94 | |
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95 | "Parameter Theta" |
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96 | Theta = Inlet.z/Inlet.z(1); |
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97 | |
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98 | "Parameter epsilon" |
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99 | epsilon = Inlet.z(1)*sum(stoic); |
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100 | |
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101 | "Rate of reaction" |
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102 | (-r) = k*Outlet.C(1)*Outlet.C(2); |
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103 | |
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104 | SET |
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105 | NComp = 4; # A, B, C and I |
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106 | stoic = [-1.0, -0.5, 1.0, 0.0]; |
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107 | k = 200*'l/mol/s'; |
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108 | |
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109 | SPECIFY |
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110 | "Inlet molar fraction" |
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111 | Inlet.z = [0.28, 0.1512, 0.0, 0.5688]; |
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112 | "Inlet pressure" |
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113 | P = 1485*'kPa'; |
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114 | "Inlet temperature" |
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115 | T = (227 + 273.15)*'K'; |
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116 | |
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117 | OPTIONS |
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118 | TimeStep = 0.005; |
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119 | TimeEnd = 0.995; |
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120 | |
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121 | end |
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