Detailed Description

The Penman-Millington-Quirk (PMQ) Vapour diffusion model.

The vapour diffusion can be described by [28], [29],

\[ D_v=D_0 \left(\frac{T}{273.15}\right)^{n} D_{vr}, \]

where \(D_{0}\) is the base diffusion coefficient with default value \(2.16\cdot 10^{-5}\) \({\text m}^2 \text{Pa}/(\text{s}\text{K}^{n})\), \(n\) is the exponent with default value 1.8, \(D_{vr}\) is the the relative diffusion coefficient, and \(T\) is the temperature.

The Penman–Millington–Quirk (PMQ) model [28] is given as

\[ D_{vr}=0.66 \phi \left(\frac{\kappa}{\phi}\right)^{\frac{12-m}{3}}, \]

where \(\phi\) is the total porosity, \(\kappa\) is the air filled porosity, and \(m\) is a fitting parameter. The air filled porosity is defined as \( \kappa = \phi-\theta = \phi -S_L \phi \) with \(\theta\) the liquid content, and \(S_L\) the liquid saturation.

According to the study presented in [28], \(m=6\) is the best fitting parameter for the sieved, repacked soils that the authors tested. Therefore, \(m=6\) is used in the implementation, which gives

\[ D_{vr}=0.66 \phi (1 - S_L )^2. \]

Note: In order to maintain consistency with the implementation of the computations of other vapor-related parameters, \( \phi (1 - S_L )\) is removed from the implementation for this class and is multiplied back in the local assembler.

Definition at line 59 of file VapourDiffusionPMQ.h.

#include <VapourDiffusionPMQ.h>

Inheritance diagram for MaterialPropertyLib::VapourDiffusionPMQ:

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Collaboration diagram for MaterialPropertyLib::VapourDiffusionPMQ:

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Public Member Functions
	VapourDiffusionPMQ (std::string name, double const base_diffusion_coefficient, double const exponent)

void	checkScale () const override

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

PropertyDataType	dValue (VariableArray const &variable_array, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) 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	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
double const	base_diffusion_coefficient_

double const	exponent_

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

◆ VapourDiffusionPMQ()

MaterialPropertyLib::VapourDiffusionPMQ::VapourDiffusionPMQ	(	std::string	name,
		double const	base_diffusion_coefficient,
		double const	exponent )

inlineexplicit

Definition at line 62 of file VapourDiffusionPMQ.h.

        : base_diffusion_coefficient_(base_diffusion_coefficient),
          exponent_(exponent)
    {
        name_ = std::move(name);
    }

References MaterialPropertyLib::name, and MaterialPropertyLib::Property::name_.

Member Function Documentation

◆ checkScale()

void MaterialPropertyLib::VapourDiffusionPMQ::checkScale ( ) const

inlineoverridevirtual

Reimplemented from MaterialPropertyLib::Property.

Definition at line 71 of file VapourDiffusionPMQ.h.

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

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

◆ dValue()

PropertyDataType MaterialPropertyLib::VapourDiffusionPMQ::dValue	(	VariableArray const &	variable_array,
		Variable const	variable,
		ParameterLib::SpatialPosition const &	pos,
		double const	t,
		double const	dt ) const

overridevirtual

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

The default implementation of this method only returns the property value derivative without altering it.

Reimplemented from MaterialPropertyLib::Property.

Definition at line 41 of file VapourDiffusionPMQ.cpp.

{
    const double S_L = std::clamp(variable_array.liquid_saturation, 0.0, 1.0);
 
    const double T = variable_array.temperature;
 
    if (variable == Variable::temperature)
    {
        const double S_v = 1 - S_L;
        const double D_vr = S_v;
 
        return exponent_ * base_diffusion_coefficient_ *
               std::pow(T / MaterialLib::PhysicalConstant::CelsiusZeroInKelvin,
                        exponent_ - 1.0) *
               D_vr / MaterialLib::PhysicalConstant::CelsiusZeroInKelvin;
    }
 
    if (variable == Variable::liquid_saturation)
    {
        return -base_diffusion_coefficient_ *
               std::pow(T / MaterialLib::PhysicalConstant::CelsiusZeroInKelvin,
                        exponent_);
    }
 
    OGS_FATAL(
        "VapourDiffusionPMQ::dValue is implemented for "
        "derivatives with respect to temperature or saturation only.");
}

References base_diffusion_coefficient_, MaterialLib::PhysicalConstant::CelsiusZeroInKelvin, exponent_, MaterialPropertyLib::liquid_saturation, MaterialPropertyLib::VariableArray::liquid_saturation, OGS_FATAL, MaterialPropertyLib::temperature, and MaterialPropertyLib::VariableArray::temperature.

◆ value()

PropertyDataType MaterialPropertyLib::VapourDiffusionPMQ::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 23 of file VapourDiffusionPMQ.cpp.

{
    const double S_L = std::clamp(variable_array.liquid_saturation, 0.0, 1.0);
 
    const double T = variable_array.temperature;
 
    const double S_v = 1 - S_L;
    const double D_vr = S_v;
 
    return base_diffusion_coefficient_ *
           std::pow(T / MaterialLib::PhysicalConstant::CelsiusZeroInKelvin,
                    exponent_) *
           D_vr;
}

References base_diffusion_coefficient_, MaterialLib::PhysicalConstant::CelsiusZeroInKelvin, exponent_, MaterialPropertyLib::VariableArray::liquid_saturation, and MaterialPropertyLib::VariableArray::temperature.

Member Data Documentation

◆ base_diffusion_coefficient_

double const MaterialPropertyLib::VapourDiffusionPMQ::base_diffusion_coefficient_

private

Definition at line 93 of file VapourDiffusionPMQ.h.

Referenced by dValue(), and value().

◆ exponent_

double const MaterialPropertyLib::VapourDiffusionPMQ::exponent_

private

Definition at line 94 of file VapourDiffusionPMQ.h.

Referenced by dValue(), and value().

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

MaterialLib/MPL/Properties/VapourDiffusion/VapourDiffusionPMQ.h
MaterialLib/MPL/Properties/VapourDiffusion/VapourDiffusionPMQ.cpp

Detailed Description

Public Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ VapourDiffusionPMQ()

Member Function Documentation

◆ checkScale()

◆ dValue()

◆ value()

Member Data Documentation

◆ base_diffusion_coefficient_

◆ exponent_