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Enthalpy correction fix #68

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merged 4 commits into from
Jul 28, 2016
Merged

Enthalpy correction fix #68

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b67b2da
Introduced enthalpy reference temperature via input file. Used only f…
nagelt Jul 28, 2016
d9ca644
Removed obsolete comment.
nagelt Jul 28, 2016
a003c6e
Changed if clause for enthalpy correction to density model.
nagelt Jul 28, 2016
28d87ec
Rebase and clang-format-diff to trunk.
nagelt Jul 28, 2016
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23 changes: 13 additions & 10 deletions FEM/fem_ele_std_tes.cpp
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Expand Up @@ -689,16 +689,19 @@ double CFiniteElementStd::CalCoef_RHS_TES(const int dof_index)
// AB + \Delta H <--> A + B
H_vap = - SolidProp->reaction_enthalpy;
//enthalpy correction
const double rhoSR = gp_ele->rho_s_curr[gp];
const double dcp_drhoSR((((*SolidProp->data_Capacity)(1)*SolidProp->upper_solid_density_limit -
(*SolidProp->data_Capacity)(0)*SolidProp->lower_solid_density_limit)/
(SolidProp->upper_solid_density_limit-SolidProp->lower_solid_density_limit) -
(*SolidProp->data_Capacity)(0)) * SolidProp->lower_solid_density_limit/(rhoSR*rhoSR));

const double cpS = SolidProp->Heat_Capacity(rhoSR);
const double cpG = FluidProp->SpecificHeatCapacity(eos_arg);
H_vap -= (cpS - cpG + rhoSR * dcp_drhoSR)*(Tg - 573.15);//TODO: Move IC to input file

if (SolidProp->Capacity_mode == 4 || SolidProp->Capacity_mode == 5)
{
const double rhoSR = gp_ele->rho_s_curr[gp];
const double dcp_drhoSR(
(((*SolidProp->data_Capacity)(1) * SolidProp->upper_solid_density_limit
- (*SolidProp->data_Capacity)(0) * SolidProp->lower_solid_density_limit)
/ (SolidProp->upper_solid_density_limit - SolidProp->lower_solid_density_limit)
- (*SolidProp->data_Capacity)(0)) * SolidProp->lower_solid_density_limit / (rhoSR * rhoSR));

const double cpS = SolidProp->Heat_Capacity(rhoSR);
const double cpG = FluidProp->SpecificHeatCapacity(eos_arg);
H_vap -= (cpS - cpG + rhoSR * dcp_drhoSR) * (Tg - SolidProp->T_ref_enthalpy_correction);
}
}
val += (1.0-poro) * q_r * H_vap;
val += gp_ele->rho_s_curr[gp] * (1.0-poro) * SolidProp->specific_heat_source;
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23 changes: 14 additions & 9 deletions FEM/fem_ele_std_tneq.cpp
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Expand Up @@ -743,16 +743,21 @@ double CFiniteElementStd::CalCoef_RHS_TNEQ(const int dof_index)
Xw = ipol(X0, X1, theta, this);
// end of adding eos_arg-----------------
double H_vap = - SolidProp->reaction_enthalpy; //sign convention: defined negative for exothermic composition reaction but equ. written as: AB + \Delta H <--> A + B

//Correction for temperature-dependent enthalpy in case of variable cpS
const double rhoSR = gp_ele->rho_s_curr[gp];
const double dcp_drhoSR((((*SolidProp->data_Capacity)(1)*SolidProp->upper_solid_density_limit -
(*SolidProp->data_Capacity)(0)*SolidProp->lower_solid_density_limit)/
(SolidProp->upper_solid_density_limit-SolidProp->lower_solid_density_limit) -
(*SolidProp->data_Capacity)(0)) * SolidProp->lower_solid_density_limit/(rhoSR*rhoSR));

const double cpS = SolidProp->Heat_Capacity(rhoSR);
const double cpG = FluidProp->SpecificHeatCapacity(eos_arg);
H_vap -= (cpS - cpG + rhoSR * dcp_drhoSR)*(Ts - 573.15);//TODO: Move IC to input file
if (SolidProp->Capacity_mode == 4 || SolidProp->Capacity_mode == 5)
{
const double rhoSR = gp_ele->rho_s_curr[gp];
const double dcp_drhoSR(
(((*SolidProp->data_Capacity)(1) * SolidProp->upper_solid_density_limit
- (*SolidProp->data_Capacity)(0) * SolidProp->lower_solid_density_limit)
/ (SolidProp->upper_solid_density_limit - SolidProp->lower_solid_density_limit)
- (*SolidProp->data_Capacity)(0)) * SolidProp->lower_solid_density_limit / (rhoSR * rhoSR));

const double cpS = SolidProp->Heat_Capacity(rhoSR);
const double cpG = FluidProp->SpecificHeatCapacity(eos_arg);
H_vap -= (cpS - cpG + rhoSR * dcp_drhoSR) * (Ts - SolidProp->T_ref_enthalpy_correction);
}

val = (1.0 - poro) * q_r * H_vap;
val += gp_ele->rho_s_curr[gp] * (1.0 - poro) * SolidProp->specific_heat_source;
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12 changes: 11 additions & 1 deletion FEM/rf_msp_new.cpp
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Expand Up @@ -822,6 +822,12 @@ std::ios::pos_type CSolidProperties::Read(std::ifstream* msp_file)
in_sd >> specific_heat_source;
in_sd.clear();
}
if (line_string.find("$ENTHALPY_CORRECTION_REFERENCE_TEMPERATURE") != string::npos)
{
in_sd.str(GetLineFromFile1(msp_file));
in_sd >> T_ref_enthalpy_correction;
in_sd.clear();
}

if (line_string.find("$MICRO_STRUCTURE_PLAS") != string::npos) // WX:09.2011 for anisotropic plasticity
{
Expand Down Expand Up @@ -892,6 +898,8 @@ void CSolidProperties::SetSolidReactiveSystemProperties() // Definition auch in
reaction_enthalpy = -1.083e+05/PhysicalConstant::MolarMass::Water; //in J/kg (Molar heat of reaction divided by molar mass of water)
//negative for exothermic composition reaction
reaction_entropy = -143.5/PhysicalConstant::MolarMass::Water; //in J/kgK
std::cout << "Set enthalpy correction reference temperature with keyword "
"$ENTHALPY_CORRECTION_REFERENCE_TEMPERATURE; usually to initial solid temperature." << std::endl;
}
else if (reaction_system.compare("Mn3O4") == 0)
{
Expand All @@ -900,6 +908,8 @@ void CSolidProperties::SetSolidReactiveSystemProperties() // Definition auch in
reaction_enthalpy = -1.376e+05 / 0.032; // in J/kg (Molar heat of reaction divided by molar mass of oxygen)
// negative for exothermic composition reaction
reaction_entropy = -114.1 / 0.032; // in J/kgK
std::cout << "Set enthalpy correction reference temperature with keyword "
"$ENTHALPY_CORRECTION_REFERENCE_TEMPERATURE; usuall to initial solid temperature." << std::endl;
}
else if (reaction_system.compare("Z13XBF") == 0)
{
Expand Down Expand Up @@ -1015,7 +1025,7 @@ CSolidProperties::CSolidProperties()
reaction_entropy = 0.0;
non_reactive_solid_volume_fraction = 0.0;
non_reactive_solid_density = 0.0;

T_ref_enthalpy_correction = 573.15;
specific_heat_source = 0.0;

bishop_model = -1; // 15.08.2011. WW
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2 changes: 1 addition & 1 deletion FEM/rf_msp_new.h
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Expand Up @@ -307,7 +307,7 @@ class CSolidProperties
double reaction_entropy;
double non_reactive_solid_volume_fraction;
double non_reactive_solid_density;

double T_ref_enthalpy_correction;
double specific_heat_source;

// CMCD
Expand Down