Changeset 402 for trunk/sample/miscellaneous/sample_gibbs_reactor_simple.mso

Timestamp:

Nov 15, 2007, 11:36:42 PM (16 years ago)

Author:

Rafael de Pelegrini Soares

Message:

More samples on gibbs reactor simple

File:

• trunk/sample/miscellaneous/sample_gibbs_reactor_simple.mso (modified) (3 diffs)

trunk/sample/miscellaneous/sample_gibbs_reactor_simple.mso

@@ -47 +47 @@
         R  as Real(Brief="Universal gas constant", Unit='J/mol/K', Default=8.314);
         T0 as temperature(Default = 298.15);
-        P0 as pressure(Default=1);
+        P0 as Real(Default=1, Unit='bar');
         G0(NComp) as energy_mol         (Brief="Gibbs energy in standard state");
         H0(NComp) as energy_mol         (Brief="Enthalpy in standard state");
@@ -59 +59 @@
         P as pressure;
         ni(NComp) as positive(Brief="Initial number of mols", Unit='mol');
-        n(NComp)  as positive(Brief="Number of mols at equilibrium", Unit='mol', Upper=2);
-        advance   as Real(Unit='mol', Lower=-2, Upper=2);
+        n(NComp)  as positive(Brief="Number of mols at equilibrium", Unit='mol', Upper=10);
+        advance   as Real(Unit='mol', Lower=-10, Upper=10);
 
         K  as Real(Brief="Reaction equilibrium constant at T");
@@ -113 +113 @@
         Dynamic = false;
 end
+
+
+# Ethanol production by ethylene hydratation at 250 degC and 35 bar
+FlowSheet gibbs_reactor_simple_sample2 as gibbs_reactor_simple
+        PARAMETERS
+        PP as Plugin(Brief="Physical Properties",
+                Type="PP",
+                Components = ["ethylene", "water", "ethanol"],
+                LiquidModel = "IdealLiquid",
+                VapourModel = "PR"
+        );
+        NComp as Integer;
+
+        SET
+        NComp = PP.NumberOfComponents;
+        stoic = [-1, -1, 1];
+
+        SPECIFY
+        T = (250 + 273.15) * 'K';
+        P = 35 * 'atm';
+        ni = [1, 5, 0] * 'mol';
+        
+        # Expected results:
+        # advance = 0.21;
+        
+        OPTIONS
+        Dynamic = false;
+end
+
+# Water-gas-shift T = 1100 K, P = 1 bar
+FlowSheet gibbs_reactor_simple_sample3 as gibbs_reactor_simple
+        PARAMETERS
+        PP as Plugin(Brief="Physical Properties",
+                Type="PP",
+                Components = ["carbon monoxide", "water", "carbon dioxide", "hydrogen"],
+                LiquidModel = "IdealLiquid",
+                VapourModel = "PR"
+        );
+        NComp as Integer;
+
+        SET
+        NComp = PP.NumberOfComponents;
+        stoic = [-1, -1, 1, 1];
+
+        SPECIFY
+        T = 1100 * 'K';
+        P = 1 * 'bar';
+        ni = [1, 1, 0, 0] * 'mol';
+        
+        # Expected results:
+        # advance = 0.41;
+        
+        OPTIONS
+        Dynamic = false;
+end
+
+
+# Water-gas-shift T = 1100 K, P = 10 bar
+FlowSheet gibbs_reactor_simple_sample4 as gibbs_reactor_simple
+        PARAMETERS
+        PP as Plugin(Brief="Physical Properties",
+                Type="PP",
+                Components = ["carbon monoxide", "water", "carbon dioxide", "hydrogen"],
+                LiquidModel = "IdealLiquid",
+                VapourModel = "PR"
+        );
+        NComp as Integer;
+
+        SET
+        NComp = PP.NumberOfComponents;
+        stoic = [-1, -1, 1, 1];
+
+        SPECIFY
+        T = 1100 * 'K';
+        P = 1 * 'bar';
+        ni = [1, 1, 0, 0] * 'mol';
+        
+        # Expected results:
+        # advance = 0.41;
+        
+        OPTIONS
+        Dynamic = false;
+end
+
+
+# Water-gas-shift T = 1100 K, P = 1 bar excess of water
+FlowSheet gibbs_reactor_simple_sample5 as gibbs_reactor_simple
+        PARAMETERS
+        PP as Plugin(Brief="Physical Properties",
+                Type="PP",
+                Components = ["carbon monoxide", "water", "carbon dioxide", "hydrogen"],
+                LiquidModel = "IdealLiquid",
+                VapourModel = "PR"
+        );
+        NComp as Integer;
+
+        SET
+        NComp = PP.NumberOfComponents;
+        stoic = [-1, -1, 1, 1];
+
+        SPECIFY
+        T = 1100 * 'K';
+        P = 1 * 'bar';
+        ni = [1, 2, 0, 0] * 'mol';
+        
+        # Expected results:
+        # advance = 0.56;
+        
+        OPTIONS
+        Dynamic = false;
+end
+
+# Ammonia synthesis from nitrogen and hydrogen T = 500 degC, P = 1 bar
+FlowSheet gibbs_reactor_simple_sample6 as gibbs_reactor_simple
+        PARAMETERS
+        PP as Plugin(Brief="Physical Properties",
+                Type="PP",
+                Components = ["nitrogen", "hydrogen", "ammonia"],
+                LiquidModel = "IdealLiquid",
+                VapourModel = "PR"
+        );
+        NComp as Integer;
+
+        SET
+        NComp = PP.NumberOfComponents;
+        stoic = [-1, -1, 2];
+
+        SPECIFY
+        T = (500 + 273.15) * 'K';
+        P = 1 * 'bar';
+        ni = [1, 3, 0] * 'mol';
+        
+        # Expected results:
+        # K = 6e-5;
+        
+        OPTIONS
+        Dynamic = false;
+end
+
+# Ammonia synthesis from nitrogen and hydrogen T = 500 degC, P = 300 bar
+FlowSheet gibbs_reactor_simple_sample7 as gibbs_reactor_simple
+        PARAMETERS
+        PP as Plugin(Brief="Physical Properties",
+                Type="PP",
+                Components = ["nitrogen", "hydrogen", "ammonia"],
+                LiquidModel = "IdealLiquid",
+                VapourModel = "PR"
+        );
+        NComp as Integer;
+
+        SET
+        NComp = PP.NumberOfComponents;
+        stoic = [-1, -3, 2];
+
+        SPECIFY
+        T = (500 + 273.15) * 'K';
+        P = 300 * 'bar';
+        ni = [1, 3, 0] * 'mol';
+        
+        # Expected results:
+        # advance = 0.54;
+        
+        OPTIONS
+        Dynamic = false;
+end