Changeset 421 for trunk/eml/reactors/gibbs.mso

Timestamp:

Nov 29, 2007, 10:05:51 AM (16 years ago)

Author:

Rodolfo Rodrigues

Message:

Added symbols

File:

• trunk/eml/reactors/gibbs.mso (modified) (9 diffs)

trunk/eml/reactors/gibbs.mso

@@ -18 +18 @@
 *
 *   Description:
-
 *       Thermodynamic equilibrium modeling of a reactor using Gibbs
 *       free energy minimization approach.
-
-*
-
+*
 *   Assumptions:
-
+*               * single- and two-phases involved
 *       * thermodynamic equilibrium
-
 *               * steady-state
-
-*
-
+*
 *       Specify:
-
 *               * inlet stream
 *               * number of elements related to components
-
 *               * matrix of elements by components
-
 *               * equilibrium temperature
 *
@@ -58 +49 @@
         Brief   = "Model of a generic vapour-phase Gibbs CSTR";
         Info    = "
-Requires the information of:
-* number of elements
-* matrix of elements (elements by compoments)
+== Assumptions ==
+* thermodynamic equilibrium
+* steady-state
+
+== Specify ==
+* inlet stream
+* number of elements related to components
+* matrix of elements by components
+* equilibrium temperature
 ";
 
@@ -71 +68 @@
         
         VARIABLES
-out Outlet                      as vapour_stream; # Outlet stream
+out Outlet                      as vapour_stream(Brief="Outlet stream", PosX=1, PosY=1, Symbol="_{out}");
 
         G(NComp)                as energy_mol   (Brief="Gibbs free-energy change of formation");
-        lambda(NElem)   as energy_mol   (Brief="Lagrangian multiplier");
-        activ(NComp)    as Real                 (Brief="Activity", Lower=1e-20);
-        phi(NComp)              as fugacity             (Brief="Fugacity coefficient", Default=1);
+        lambda(NElem)   as energy_mol   (Brief="Lagrangian multiplier", Symbol="\lambda");
+        activ(NComp)    as Real                 (Brief="Activity", Symbol="\hat{a}", Lower=1e-20);
         
         rate(NComp)     as reaction_mol (Brief="Overall component rate of reaction");
-        conv(NComp)     as Real                 (Brief="Fractional conversion of component", Default=0);
+        conv(NComp)     as Real                 (Brief="Fractional conversion of component", Symbol="X", Default=0);
         Fi(NComp)               as flow_mol             (Brief="Component molar flow rate");
 
         EQUATIONS
         "Outlet stream"
-        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*V;
+        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*Vr;
         
         "Mechanical equilibrium"
@@ -105 +101 @@
 
 #       "Gibbs free-energy of formation without Cp correction"
-#       G = PP.IdealGasGibbsOfFormationAt25C()*Outlet.T/To+PP.IdealGasEnthalpyOfFormationAt25C()*(1-Outlet.T/To);
+#       G = PP.IdealGasGibbsOfFormationAt25C()*Outlet.T/To
+#               + PP.IdealGasEnthalpyOfFormationAt25C()*(1 - Outlet.T/To);
 
         for i in [1:NComp]
@@ -122 +119 @@
                         end
           end
-        
         end
         
-        "Fugacity coefficient"
-        phi = PP.VapourFugacityCoefficient(Outlet.T,Outlet.P,Outlet.z);
-        
         "Activity"
-        activ = phi*Outlet.P*Outlet.z/fs;
+        activ = PP.VapourFugacityCoefficient(Outlet.T,Outlet.P,Outlet.z)
+                *Outlet.P*Outlet.z/fs;
 end
 
@@ -142 +136 @@
         Brief   = "Model of a generic liquid-phase Gibbs CSTR";
         Info    = "
-Requires the information of:
-* number of elements
-* matrix of elements (elements by compoments)
+== Assumptions ==
+* thermodynamic equilibrium
+* steady-state
+
+== Specify ==
+* inlet stream
+* number of elements related to components
+* matrix of elements by components
+* equilibrium temperature
 ";
 
@@ -155 +155 @@
         
         VARIABLES
-out Outlet                      as liquid_stream; # Outlet stream
+out Outlet                      as liquid_stream(Brief="Outlet stream", PosX=1, PosY=1, Symbol="_{out}");
 
         G(NComp)                as energy_mol   (Brief="Gibbs free-energy change of formation");
-        lambda(NElem)   as energy_mol   (Brief="Lagrangian multiplier");
-        activ(NComp)    as Real                 (Brief="Activity", Lower=0);
-        gamma(NComp)    as fugacity             (Brief="Activity coefficient", Default=1);
-
+        lambda(NElem)   as energy_mol   (Brief="Lagrangian multiplier", Symbol="\lambda");
+        activ(NComp)    as Real                 (Brief="Activity", Symbol="\hat{a}", Lower=0);
+        
         rate(NComp)     as reaction_mol (Brief="Overall component rate of reaction");
-        conv(NComp)     as Real                 (Brief="Fractional conversion of component", Default=0);
+        conv(NComp)     as Real                 (Brief="Fractional conversion of component", Symbol="X", Default=0);
         Fi(NComp)               as flow_mol             (Brief="Component molar flow rate");
 
         EQUATIONS
         "Outlet stream"
-        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*V;
+        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*Vr;
         
         "Mechanical equilibrium"
@@ -189 +188 @@
 
 #       "Gibbs free-energy of formation without Cp correction"
-#       G = PP.IdealGasGibbsOfFormationAt25C()*Outlet.T/To+PP.IdealGasEnthalpyOfFormationAt25C()*(1-Outlet.T/To);
+#       G = PP.IdealGasGibbsOfFormationAt25C()*Outlet.T/To
+#               + PP.IdealGasEnthalpyOfFormationAt25C()*(1 - Outlet.T/To);
 
         for i in [1:NComp]
@@ -206 +206 @@
                         end
           end
-        
         end
         
-        "Activity coefficient"
-        gamma = PP.LiquidFugacityCoefficient(Outlet.T,Outlet.P,Outlet.z);
-        
         "Activity"
-        activ = gamma*Outlet.z*exp(PP.LiquidVolume(Outlet.T,Outlet.P,Outlet.z)*(Outlet.P - Ps)/Rg/Outlet.T);
+        activ = PP.LiquidFugacityCoefficient(Outlet.T,Outlet.P,Outlet.z)*Outlet.z
+                *exp(PP.LiquidVolume(Outlet.T,Outlet.P,Outlet.z)*(Outlet.P - Ps)/Rg/Outlet.T);
 end