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 | * Model of a stoichiometric reactor |
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17 | *---------------------------------------------------------------------- |
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18 | * |
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19 | * Description: |
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20 | * Modeling of a reactor based on a stoichiometric approach. |
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21 | * |
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22 | * Assumptions: |
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23 | * * single- and two-phases involved |
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24 | * * steady-state |
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25 | * |
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26 | * Specify: |
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27 | * * inlet stream |
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28 | * * extent of reactions or |
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29 | * * conversion of a key component |
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30 | * |
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31 | *---------------------------------------------------------------------- |
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32 | * Author: Rodolfo Rodrigues |
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33 | * $Id$ |
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34 | *--------------------------------------------------------------------*# |
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35 | |
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36 | using "tank_basic"; |
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37 | |
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38 | |
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39 | #*--------------------------------------------------------------------- |
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40 | * only vapour-phase |
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41 | *--------------------------------------------------------------------*# |
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42 | Model stoic_vap as tank_vap |
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43 | ATTRIBUTES |
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44 | Brief = "Basic model for a vapour-phase stoichiometric CSTR"; |
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45 | Info = " |
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46 | == Assumptions == |
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47 | * only vapour-phase |
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48 | * steady-state |
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49 | "; |
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50 | |
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51 | PARAMETERS |
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52 | NReac as Integer (Brief="Number of reactions", Default=1); |
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53 | stoic(NComp,NReac) as Real (Brief="Stoichiometric matrix", Symbol="\nu"); |
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54 | |
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55 | VARIABLES |
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56 | out Outlet as vapour_stream(Brief="Outlet stream", PosX=1, PosY=1, Symbol="_{out}"); |
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57 | |
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58 | rate(NComp) as reaction_mol (Brief="Overall component rate of reaction"); |
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59 | conv(NComp) as Real (Brief="Fractional conversion of component", Symbol="X", Default=0); |
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60 | |
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61 | EQUATIONS |
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62 | "Outlet stream" |
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63 | Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*Tank.V; |
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64 | |
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65 | "Mechanical equilibrium" |
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66 | Outlet.P = Outletm.P; |
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67 | |
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68 | "Energy balance" |
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69 | Outlet.F*Outlet.h = Outletm.F*Outletm.h; |
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70 | |
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71 | "Steady-state" |
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72 | Outlet.F = Outletm.F; |
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73 | |
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74 | for i in [1:NComp] |
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75 | if (Outletm.z(i) > 1e-16) then |
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76 | "Molar conversion" |
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77 | Outlet.F*Outlet.z(i) = Outletm.F*Outletm.z(i)*(1 - conv(i)); |
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78 | else if (Outlet.z(i) > 0) then |
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79 | "Molar conversion" |
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80 | conv(i) = 1; # ? |
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81 | else |
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82 | "Molar conversion" |
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83 | conv(i) = 0; # ? |
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84 | end |
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85 | end |
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86 | end |
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87 | end |
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88 | |
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89 | |
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90 | #*--------------------------------------------------------------------- |
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91 | * only liquid-phase |
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92 | *--------------------------------------------------------------------*# |
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93 | Model stoic_liq as tank_liq |
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94 | ATTRIBUTES |
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95 | Brief = "Basic model for a liquid-phase stoichiometric CSTR"; |
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96 | Info = " |
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97 | == Assumptions == |
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98 | * only liquid-phase |
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99 | * steady-state |
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100 | "; |
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101 | |
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102 | PARAMETERS |
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103 | NReac as Integer (Brief="Number of reactions", Default=1); |
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104 | stoic(NComp,NReac) as Real (Brief="Stoichiometric matrix", Symbol="\nu"); |
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105 | |
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106 | VARIABLES |
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107 | out Outlet as liquid_stream(Brief="Outlet stream", PosX=1, PosY=1, Symbol="_{out}"); |
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108 | |
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109 | rate(NComp) as reaction_mol (Brief="Overall component rate of reaction"); |
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110 | conv(NComp) as Real (Brief="Fractional conversion of component", Symbol="X", Default=0); |
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111 | |
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112 | EQUATIONS |
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113 | "Outlet stream" |
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114 | Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*Tank.V; |
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115 | |
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116 | "Mechanical equilibrium" |
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117 | Outlet.P = Outletm.P; |
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118 | |
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119 | "Energy balance" |
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120 | Outlet.F*Outlet.h = Outletm.F*Outletm.h; |
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121 | |
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122 | "Steady-state" |
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123 | Outlet.F = Outletm.F; |
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124 | |
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125 | for i in [1:NComp] |
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126 | if (Outletm.z(i) > 1e-16) then |
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127 | "Molar conversion" |
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128 | Outlet.F*Outlet.z(i) = Outletm.F*Outletm.z(i)*(1 - conv(i)); |
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129 | else if (Outlet.z(i) > 0) then |
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130 | "Molar conversion" |
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131 | conv(i) = 1; # ? |
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132 | else |
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133 | "Molar conversion" |
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134 | conv(i) = 0; # ? |
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135 | end |
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136 | end |
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137 | end |
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138 | end |
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139 | |
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140 | |
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141 | #*--------------------------------------------------------------------- |
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142 | * 1. extent of reactions are known |
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143 | *--------------------------------------------------------------------*# |
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144 | Model stoic_extent_vap as stoic_vap |
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145 | ATTRIBUTES |
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146 | Pallete = true; |
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147 | Icon = "icon/cstr"; |
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148 | Brief = "Model of a generic vapour-phase stoichiometric CSTR based on extent of reaction"; |
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149 | Info = " |
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150 | == Specify == |
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151 | * inlet stream |
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152 | * extent of reactions |
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153 | "; |
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154 | |
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155 | VARIABLES |
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156 | extent(NReac) as flow_mol (Brief="Extent of reaction", Symbol="\xi"); |
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157 | |
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158 | EQUATIONS |
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159 | "Rate of reaction" |
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160 | rate*Tank.V = sumt(stoic*extent); |
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161 | end |
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162 | |
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163 | Model stoic_extent_liq as stoic_liq |
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164 | ATTRIBUTES |
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165 | Pallete = true; |
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166 | Icon = "icon/cstr"; |
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167 | Brief = "Model of a generic liquid-phase stoichiometric CSTR based on extent of reaction"; |
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168 | Info = " |
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169 | == Specify == |
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170 | * inlet stream |
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171 | * extent of reactions |
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172 | "; |
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173 | |
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174 | VARIABLES |
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175 | extent(NReac) as flow_mol (Brief="Extent of reaction", Symbol="\xi"); |
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176 | |
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177 | EQUATIONS |
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178 | "Rate of reaction" |
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179 | rate*Tank.V = sumt(stoic*extent); |
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180 | end |
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181 | |
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182 | |
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183 | #*--------------------------------------------------------------------- |
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184 | * 2. conversion of a key component is known |
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185 | *--------------------------------------------------------------------*# |
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186 | Model stoic_conv_vap as stoic_vap |
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187 | ATTRIBUTES |
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188 | Pallete = true; |
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189 | Icon = "icon/cstr"; |
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190 | Brief = "Model of a generic vapour-phase stoichiometric CSTR based on conversion of a key component"; |
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191 | Info = " |
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192 | == Specify == |
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193 | * inlet stream |
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194 | * conversion of a key component |
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195 | "; |
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196 | |
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197 | PARAMETERS |
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198 | KComp as Integer(Brief="Key component", Lower=1, Default=1); |
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199 | |
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200 | VARIABLES |
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201 | kconv as Real (Brief="Molar conversion of key component", Symbol="X_k"); |
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202 | |
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203 | EQUATIONS |
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204 | "Reaction rate" |
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205 | rate*Tank.V = sumt(stoic)/abs(sumt(stoic(KComp,:)))*Outletm.F*Outletm.z(KComp)*kconv; |
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206 | end |
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207 | |
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208 | Model stoic_conv_liq as stoic_liq |
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209 | ATTRIBUTES |
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210 | Pallete = true; |
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211 | Icon = "icon/cstr"; |
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212 | Brief = "Model of a generic liquid-phase stoichiometric CSTR based on conversion of a key component"; |
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213 | Info = " |
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214 | == Specify == |
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215 | * inlet stream |
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216 | * conversion of a key component |
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217 | "; |
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218 | |
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219 | PARAMETERS |
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220 | KComp as Integer(Brief="Key component", Lower=1, Default=1); |
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221 | |
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222 | VARIABLES |
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223 | kconv as Real (Brief="Molar conversion of key component", Symbol="X_k"); |
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224 | |
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225 | EQUATIONS |
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226 | "Reaction rate" |
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227 | rate*Tank.V = sumt(stoic)/abs(sumt(stoic(KComp,:)))*Outletm.F*Outletm.z(KComp)*kconv; |
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228 | end |
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