Holds Langmuir parameters associated with desorption Calculates mass-flow rates and derivatives thereof for use by kernels. More...

#include <MollifiedLangmuirMaterial.h>

Inheritance diagram for MollifiedLangmuirMaterial:

[legend]

Public Member Functions
	MollifiedLangmuirMaterial (const InputParameters &parameters)

Protected Member Functions
virtual void	computeQpProperties () override

Private Attributes
const VariableValue *	_one_over_de_time_const
	reciprocal of desorption time constant More...

const VariableValue *	_one_over_ad_time_const
	reciprocal of adsorption time constant More...

const Real	_langmuir_dens
	langmuir density More...

const Real	_langmuir_p
	langmuir pressure More...

const VariableValue *	_conc
	concentration of adsorbed fluid in matrix More...

const VariableValue *	_pressure
	porespace pressure (or partial pressure if multiphase flow scenario) More...

const Real	_mollifier
	mollifying parameter. More...

MaterialProperty< Real > &	_mass_rate_from_matrix
	mass flow rate from the matrix = mass flow rate to the porespace More...

MaterialProperty< Real > &	_dmass_rate_from_matrix_dC
	derivative of mass flow rate wrt concentration More...

MaterialProperty< Real > &	_dmass_rate_from_matrix_dp
	derivative of mass flow rate wrt pressure More...

Detailed Description

Holds Langmuir parameters associated with desorption Calculates mass-flow rates and derivatives thereof for use by kernels.

Definition at line 24 of file MollifiedLangmuirMaterial.h.

Constructor & Destructor Documentation

◆ MollifiedLangmuirMaterial()

MollifiedLangmuirMaterial::MollifiedLangmuirMaterial ( const InputParameters & parameters )

Definition at line 48 of file MollifiedLangmuirMaterial.C.

   : Material(parameters),
     // coupledValue returns a reference (an alias) to a VariableValue, and the & turns it into a
     // pointer
     _one_over_de_time_const(&coupledValue("one_over_desorption_time_const")),
     _one_over_ad_time_const(&coupledValue("one_over_adsorption_time_const")),
  
     _langmuir_dens(getParam<Real>("langmuir_density")),
     _langmuir_p(getParam<Real>("langmuir_pressure")),
  
     _conc(&coupledValue("conc_var")),
     _pressure(&coupledValue("pressure_var")),
  
     _mollifier(getParam<Real>("mollifier")),
  
     _mass_rate_from_matrix(declareProperty<Real>("mass_rate_from_matrix")),
     _dmass_rate_from_matrix_dC(declareProperty<Real>("dmass_rate_from_matrix_dC")),
     _dmass_rate_from_matrix_dp(declareProperty<Real>("dmass_rate_from_matrix_dp"))
 {
 }

Member Function Documentation

◆ computeQpProperties()

void MollifiedLangmuirMaterial::computeQpProperties ( )

overrideprotectedvirtual

Definition at line 70 of file MollifiedLangmuirMaterial.C.

 {
   Real equilib_conc = _langmuir_dens * ((*_pressure)[_qp]) / (_langmuir_p + (*_pressure)[_qp]);
   Real dequilib_conc_dp =
       _langmuir_dens / (_langmuir_p + (*_pressure)[_qp]) -
       _langmuir_dens * ((*_pressure)[_qp]) / std::pow(_langmuir_p + (*_pressure)[_qp], 2);
  
   Real mol = std::tanh(std::abs((*_conc)[_qp] - equilib_conc) / (_mollifier * _langmuir_dens));
   Real deriv_tanh =
       1 - std::pow(std::tanh(((*_conc)[_qp] - equilib_conc) / (_mollifier * _langmuir_dens)), 2);
   if ((*_conc)[_qp] < equilib_conc)
     deriv_tanh *= -1;
   Real dmol_dC = deriv_tanh / (_mollifier * _langmuir_dens);
   Real dmol_dp = -dmol_dC * dequilib_conc_dp;
  
   /*
   Real de_plus_ad = (*_one_over_de_time_const)[_qp] + (*_one_over_ad_time_const)[_qp];
   Real de_minus_ad = (*_one_over_de_time_const)[_qp] - (*_one_over_ad_time_const)[_qp];
  
   Real one_over_tau = 0.5*de_plus_ad + 0.5*de_minus_ad*std::tanh( ((*_conc)[_qp] -
   equilib_conc)/(_mollifier*_langmuir_dens));
   Real deriv_tanh = 1 - std::pow(std::tanh(((*_conc)[_qp] -
   equilib_conc)/(_mollifier*_langmuir_dens)), 2);
   Real d_one_over_tau_dC = 0.5*de_minus_ad*deriv_tanh/(_mollifier*_langmuir_dens);
   Real d_one_over_tau_dp = -0.5*de_minus_ad*dequilib_conc_dp*deriv_tanh/(_mollifier*_langmuir_dens);
   */
  
   // form the base rate and derivs without the appropriate time const
   _mass_rate_from_matrix[_qp] = ((*_conc)[_qp] - equilib_conc) * mol;
   _dmass_rate_from_matrix_dC[_qp] = mol + ((*_conc)[_qp] - equilib_conc) * dmol_dC;
   _dmass_rate_from_matrix_dp[_qp] =
       -dequilib_conc_dp * mol + ((*_conc)[_qp] - equilib_conc) * dmol_dp;
  
   // multiply by the appropriate time const
   if ((*_conc)[_qp] > equilib_conc)
   {
     _mass_rate_from_matrix[_qp] *= (*_one_over_de_time_const)[_qp];
     _dmass_rate_from_matrix_dC[_qp] *= (*_one_over_de_time_const)[_qp];
     _dmass_rate_from_matrix_dp[_qp] *= (*_one_over_de_time_const)[_qp];
   }
   else
   {
     _mass_rate_from_matrix[_qp] *= (*_one_over_ad_time_const)[_qp];
     _dmass_rate_from_matrix_dC[_qp] *= (*_one_over_ad_time_const)[_qp];
     _dmass_rate_from_matrix_dp[_qp] *= (*_one_over_ad_time_const)[_qp];
   }
 }

Member Data Documentation

◆ _conc

const VariableValue* MollifiedLangmuirMaterial::_conc

private

concentration of adsorbed fluid in matrix

Definition at line 46 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().

◆ _dmass_rate_from_matrix_dC

MaterialProperty<Real>& MollifiedLangmuirMaterial::_dmass_rate_from_matrix_dC

private

derivative of mass flow rate wrt concentration

Definition at line 63 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().

◆ _dmass_rate_from_matrix_dp

MaterialProperty<Real>& MollifiedLangmuirMaterial::_dmass_rate_from_matrix_dp

private

derivative of mass flow rate wrt pressure

Definition at line 66 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().

◆ _langmuir_dens

const Real MollifiedLangmuirMaterial::_langmuir_dens

private

langmuir density

Definition at line 40 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().

◆ _langmuir_p

const Real MollifiedLangmuirMaterial::_langmuir_p

private

langmuir pressure

Definition at line 43 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().

◆ _mass_rate_from_matrix

MaterialProperty<Real>& MollifiedLangmuirMaterial::_mass_rate_from_matrix

private

mass flow rate from the matrix = mass flow rate to the porespace

Definition at line 60 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().

◆ _mollifier

const Real MollifiedLangmuirMaterial::_mollifier

private

mollifying parameter.

the time constants are one_over_time_const * tanh( |_conc - equilib_conc|/(mollifier*_langmuir_dens) ) Here equilib_conc = langmuir_dens*_pressure/(_pressure + _langmuir_p) which is the langmuir expression

Definition at line 57 of file MollifiedLangmuirMaterial.h.

Referenced by computeQpProperties().