MaterialPropertyLib::TemperatureDependentDiffusion Class Reference

Detailed Description

Temperature dependent model for molecular diffusion in the pore water

This model takes the form of

\[ \mathbf{D} = \mathbf{D}_0 \mathrm{exp} \left( \frac{E_{\mathrm{a}}}{R} \left( \frac{1}{T_0} - \frac{1}{T} \right) \right), \]

where \(\mathbf{D_0}\) is the molecular diffusion at the reference temperature, \(E_{\mathrm{a}}\) is the activition energy for diffusion, \(R\) is the ideal gas constant, \(T\) is the absolute temperature, \(T_0\) is the reference temperature.

Definition at line 32 of file TemperatureDependentDiffusion.h.

#include <TemperatureDependentDiffusion.h>

Inheritance diagram for MaterialPropertyLib::TemperatureDependentDiffusion:

Collaboration diagram for MaterialPropertyLib::TemperatureDependentDiffusion:

Public Member Functions
	TemperatureDependentDiffusion (ParameterLib::Parameter< double > const &D0, double const Ea, double const T0)
void	checkScale () const override
PropertyDataType	value (VariableArray const &variable_array, ParameterLib::SpatialPosition const &pos, double const t, double const) const override
Public Member Functions inherited from MaterialPropertyLib::Property
virtual	~Property ()
virtual PropertyDataType	initialValue (ParameterLib::SpatialPosition const &pos, double const t) const
virtual PropertyDataType	value () const
virtual PropertyDataType	value (VariableArray const &variable_array, VariableArray const &variable_array_prev, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
virtual PropertyDataType	dValue (VariableArray const &variable_array, VariableArray const &variable_array_prev, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
virtual PropertyDataType	dValue (VariableArray const &variable_array, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
virtual PropertyDataType	d2Value (VariableArray const &variable_array, Variable const variable1, Variable const variable2, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
	Default implementation: 2nd derivative of any constant property is zero.
virtual void	setProperties (std::vector< std::unique_ptr< Phase > > const &phases)
	Default implementation:
void	setScale (std::variant< Medium *, Phase *, Component * > scale)
template<typename T >
T	initialValue (ParameterLib::SpatialPosition const &pos, double const t) const
template<typename T >
T	value () const
template<typename T >
T	value (VariableArray const &variable_array, VariableArray const &variable_array_prev, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	value (VariableArray const &variable_array, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	dValue (VariableArray const &variable_array, VariableArray const &variable_array_prev, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	dValue (VariableArray const &variable_array, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	d2Value (VariableArray const &variable_array, Variable const &variable1, Variable const &variable2, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const

Private Attributes
ParameterLib::Parameter< double > const &	D0_
	the molecular diffusion at the reference temperature
double const	Ea_
	the activition energy for diffusion
double const	T0_
	the reference temperature

Additional Inherited Members
Protected Attributes inherited from MaterialPropertyLib::Property
std::string	name_
PropertyDataType	value_
	The single value of a property.
PropertyDataType	dvalue_
std::variant< Medium *, Phase *, Component * >	scale_

Constructor & Destructor Documentation

TemperatureDependentDiffusion()

MaterialPropertyLib::TemperatureDependentDiffusion::TemperatureDependentDiffusion ( ParameterLib::Parameter< double > const & D0, double const Ea, double const T0 )

inlineexplicit

Definition at line 35 of file TemperatureDependentDiffusion.h.

        : D0_(D0), Ea_(Ea), T0_(T0)
    {
    }

Member Function Documentation

checkScale()

void MaterialPropertyLib::TemperatureDependentDiffusion::checkScale ( ) const

overridevirtual

Reimplemented from MaterialPropertyLib::Property.

Definition at line 20 of file TemperatureDependentDiffusion.cpp.

{
    if (!std::holds_alternative<Component*>(scale_))
    {
        OGS_FATAL(
            "The property 'TemperatureDependentDiffusion' is "
            "implemented on the 'component' scale only.");
    }
}

References OGS_FATAL, and MaterialPropertyLib::Property::scale_.

value()

PropertyDataType MaterialPropertyLib::TemperatureDependentDiffusion::value ( VariableArray const & variable_array, ParameterLib::SpatialPosition const & pos, double const t, double const dt ) const

overridevirtual

This virtual method will compute the property value based on the variables that are passed as arguments with the default implementation using empty variables array for the previous time step.

Reimplemented from MaterialPropertyLib::Property.

Definition at line 30 of file TemperatureDependentDiffusion.cpp.

{
    auto const T = variable_array.temperature;
    double const gas_constant = MaterialLib::PhysicalConstant::IdealGasConstant;
    double const Arrhenius_exponent =
        std::exp(Ea_ / gas_constant * (1 / T0_ - 1 / T));
 
    auto const D0_data = D0_(t, pos);
    std::vector<double> D;
    std::transform(D0_data.cbegin(), D0_data.cend(), std::back_inserter(D),
                   [&Arrhenius_exponent](double const D0_component)
                   { return D0_component * Arrhenius_exponent; });
 
    return fromVector(D);
}

References D0_, Ea_, MaterialPropertyLib::fromVector(), MaterialLib::PhysicalConstant::IdealGasConstant, T0_, and MaterialPropertyLib::VariableArray::temperature.

Member Data Documentation

D0_

ParameterLib::Parameter<double> const& MaterialPropertyLib::TemperatureDependentDiffusion::D0_

private

the molecular diffusion at the reference temperature

Definition at line 52 of file TemperatureDependentDiffusion.h.

Referenced by value().

Ea_

double const MaterialPropertyLib::TemperatureDependentDiffusion::Ea_

private

the activition energy for diffusion

Definition at line 54 of file TemperatureDependentDiffusion.h.

Referenced by value().

T0_

double const MaterialPropertyLib::TemperatureDependentDiffusion::T0_

private

the reference temperature

Definition at line 56 of file TemperatureDependentDiffusion.h.

Referenced by value().

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The documentation for this class was generated from the following files:

• MaterialLib/MPL/Properties/TemperatureDependentDiffusion.h
• MaterialLib/MPL/Properties/TemperatureDependentDiffusion.cpp