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 | * Equilibrium conversion |
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17 | *---------------------------------------------------------------------- |
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18 | * Solved problem from Fogler (1999) |
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19 | * Problem number: 3-8a and 3-8b |
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20 | * Page: 91 (Brazilian edition, 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 the equilibrium conversion for batch and |
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25 | * continuous systems. Be considered the following reaction of |
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26 | * decomposition: |
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27 | * N2O4 <-> 2NO2 |
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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 equilibrium constant |
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37 | * |
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38 | * Flowsheets: |
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39 | * * a batch system |
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40 | * * a continuous system |
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41 | * |
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42 | *---------------------------------------------------------------------- |
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43 | * Author: Christiano D. W. Guerra and Rodolfo Rodrigues |
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44 | * $Id: equilibrium_conversion.mso 188 2007-03-07 16:53:12Z rodolfo $ |
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45 | *--------------------------------------------------------------------*# |
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46 | |
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47 | using "types"; |
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48 | |
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49 | |
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50 | #*--------------------------------------------------------------------- |
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51 | * Model of a stream |
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52 | *--------------------------------------------------------------------*# |
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53 | |
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54 | Model stream |
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55 | PARAMETERS |
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56 | outer NComp as Integer (Brief="Number of chemical components", Lower=1); |
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57 | |
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58 | VARIABLES |
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59 | C(NComp)as conc_mol(Brief="Concentration", DisplayUnit='kmol/l', Lower=0); |
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60 | z(NComp)as fraction(Brief="Molar fraction"); |
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61 | end |
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62 | |
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63 | |
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64 | #*--------------------------------------------------------------------- |
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65 | * Example 3-8a: In a batch system |
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66 | *--------------------------------------------------------------------*# |
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67 | |
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68 | FlowSheet batch |
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69 | PARAMETERS |
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70 | NComp as Integer (Brief="Number of chemical components", Lower=1); |
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71 | R as Real (Brief="Universal gas constant", Unit='atm*l/mol/K', Default=0.082); |
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72 | stoic(NComp) as Real(Brief="Stoichiometric coefficients"); |
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73 | |
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74 | VARIABLES |
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75 | Inlet as stream; # Inlet stream |
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76 | Outlet as stream; # Outlet stream |
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77 | X as fraction (Brief="Molar conversion", Lower=0); |
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78 | Kc as Real (Brief="Equilibrium constant", Unit='mol/l'); |
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79 | C as conc_mol (Brief="Total outlet concentration", DisplayUnit='mol/l', Lower=0); |
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80 | Co as conc_mol (Brief="Total inlet concentration", DisplayUnit='mol/l', Lower=0); |
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81 | T as temperature (Brief="Temperature"); |
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82 | P as pressure (Brief="Pressure"); |
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83 | Theta(NComp) as Real(Brief="Parameter Theta"); |
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84 | |
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85 | EQUATIONS |
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86 | "Inlet molar fraction" |
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87 | Inlet.C = Inlet.z*Co; |
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88 | |
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89 | "Total inlet concentration" |
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90 | Co = P/(R*T); |
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91 | |
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92 | "Outlet molar fraction" |
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93 | Outlet.C = Outlet.z*sum(Outlet.C); |
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94 | |
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95 | "Total outlet concentration" |
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96 | C = sum(Outlet.C); |
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97 | |
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98 | "Outlet concentration" |
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99 | Outlet.C = Inlet.C(1)*(Theta + stoic*X); |
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100 | |
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101 | "Parameter Theta" |
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102 | Theta = Inlet.z/Inlet.z(1); |
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103 | |
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104 | "Equilibrium constant" |
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105 | Kc = Outlet.C(2)^2/Outlet.C(1); |
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106 | |
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107 | SET |
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108 | NComp = 2; # A and B |
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109 | stoic = [-1.0, 2.0]; # A <-> 2B |
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110 | |
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111 | SPECIFY |
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112 | "Inlet molar fraction" |
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113 | Inlet.z = [1.0, 0.0]; |
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114 | |
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115 | "Inlet pressure" |
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116 | P = 2.0*'atm'; |
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117 | "Inlet temperature" |
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118 | T = 340*'K'; |
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119 | |
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120 | "Equilibrium constant" |
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121 | Kc = 0.1*'mol/l'; |
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122 | |
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123 | OPTIONS |
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124 | Dynamic = false; |
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125 | end |
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126 | |
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127 | |
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128 | #*--------------------------------------------------------------------- |
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129 | * Example 3-8b: In a continuous system |
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130 | *--------------------------------------------------------------------*# |
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131 | |
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132 | FlowSheet continuous |
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133 | PARAMETERS |
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134 | NComp as Integer (Brief="Number of chemical components", Lower=1); |
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135 | R as Real (Brief="Universal gas constant", Unit='atm*l/mol/K', Default=0.082); |
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136 | stoic(NComp) as Real(Brief="Stoichiometric coefficients"); |
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137 | |
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138 | VARIABLES |
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139 | Inlet as stream; # Inlet stream |
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140 | Outlet as stream; # Outlet stream |
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141 | X as fraction (Brief="Molar conversion", Lower=0); |
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142 | Kc as Real (Brief="Equilibrium constant", Unit='mol/l'); |
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143 | C as conc_mol (Brief="Total outlet concentration", DisplayUnit='mol/l', Lower=0); |
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144 | Co as conc_mol (Brief="Total inlet concentration", DisplayUnit='mol/l', Lower=0); |
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145 | T as temperature (Brief="Temperatura"); |
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146 | P as pressure (Brief="Pressure"); |
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147 | Theta(NComp) as Real(Brief="Parameter Theta"); |
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148 | epsilon as Real (Brief="Parameter epsilon"); |
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149 | |
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150 | EQUATIONS |
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151 | "Inlet molar fraction" |
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152 | Inlet.C = Inlet.z*Co; |
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153 | |
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154 | "Total inlet concentration" |
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155 | Co = P/(R*T); |
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156 | |
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157 | "Outlet molar fraction" |
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158 | Outlet.C = Outlet.z*sum(Outlet.C); |
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159 | |
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160 | "Total outlet concentration" |
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161 | C = sum(Outlet.C); |
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162 | |
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163 | "Outlet concentration" |
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164 | Outlet.C = Inlet.C(1)*(Theta + stoic*X)/(1 + epsilon*X); |
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165 | |
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166 | "Parameter Theta" |
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167 | Theta = Inlet.z/Inlet.z(1); |
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168 | |
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169 | "Parameter epsilon" |
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170 | epsilon = Inlet.z(1)*sum(stoic); |
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171 | |
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172 | "Equilibrium constant" |
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173 | Kc = Outlet.C(2)^2/Outlet.C(1); |
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174 | |
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175 | SET |
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176 | NComp = 2; # A and B |
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177 | stoic = [-1.0, 2.0]; # A <-> 2B |
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178 | |
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179 | SPECIFY |
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180 | "Inlet molar fraction" |
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181 | Inlet.z = [1.0, 0.0]; |
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182 | |
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183 | "Inlet pressure" |
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184 | P = 2.0*'atm'; |
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185 | "Inlet temperature" |
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186 | T = 340*'K'; |
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187 | |
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188 | "Equilibrium constant" |
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189 | Kc = 0.1*'mol/l'; |
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190 | |
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191 | OPTIONS |
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192 | Dynamic = false; |
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193 | end |
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