[fix] use the correct temperature and

add the energy contribution of the chem. reaction
to the gas phase

test/porousmediumflow/1pncmin/implicit/discharge_nonequilibrium/params.input

@@ -32,7 +32,7 @@ CaO2H2Initial = 0.0
 BoundaryPressure= 2e5                  # [Pa] outlet pressure
 BoundaryTemperature = 573.15             # [K] inlet temperature: charge: 873 K ; discharge: 473K
 BoundaryMoleFraction = 0.464                     # [] molefraction
-boundaryTemperatureSolid = 285
+boundaryTemperatureSolid = 573.15
 
 [Vtk]
 #AddVelocity         = 0            # Add extra information

test/porousmediumflow/1pncmin/implicit/discharge_nonequilibrium/problem.hh

@@ -148,6 +148,7 @@ class Discharge_nonequilibrium_Problem : public PorousMediumFlowProblem<TypeTag>
         conti0EqIdx = Indices::conti0EqIdx,
 
         // Phase Indices
+        phaseIdx = FluidSystem::phase0Idx,
         cPhaseIdx = SolidSystem::comp0Idx,
 
         temperatureIdx = Indices::temperatureIdx,
@@ -355,6 +356,7 @@ public:
 
         Scalar deltaH = 108e3; // J/mol
         source[energyEqSolidIdx] = qMole * deltaH;
+        source[energyEqIdx] = - qMole * (volVars.porosity()/(1-volVars.porosity()))*(volVars.pressure(phaseIdx)/volVars.molarDensity(phaseIdx));
 
         return source;
     }

test/porousmediumflow/1pncmin/implicit/discharge_nonequilibrium/reaction.hh

@@ -54,7 +54,7 @@ public:
         using Scalar = typename VolumeVariables::PrimaryVariables::value_type;
 
         // calculate the equilibrium temperature Teq
-        Scalar T= volVars.temperature();
+        Scalar T= volVars.temperatureSolid();
         Scalar Teq = 0;
 
         Scalar moleFractionVapor = 1e-3;
@@ -223,7 +223,7 @@ public:
         using Scalar = typename VolumeVariables::PrimaryVariables::value_type;
 
         // calculate the equilibrium temperature Teq
-        Scalar T= volVars.temperature();
+        Scalar T= volVars.temperatureSolid();
         Scalar Teq = 0;
 
         Scalar moleFractionVapor = 1e-3;