MaterialProperties Struct Reference

#include <ERF_MaterialProperties.H>

Inheritance diagram for MaterialProperties:

Collaboration diagram for MaterialProperties:

Public Member Functions
AMREX_GPU_HOST_DEVICE	MaterialProperties (const Species::Name &a_name)
	Constructor. More...
AMREX_GPU_HOST_DEVICE	MaterialProperties (const MaterialProperties &a_matprop)
	Copy constructor. More...
AMREX_GPU_HOST_DEVICE	~MaterialProperties ()=default
	Default destructor. More...
AMREX_GPU_HOST void	print () const
	Print parameters. More...
AMREX_GPU_HOST_DEVICE void	setProperties_H2O ()
	Set this material to H20. More...
AMREX_GPU_HOST_DEVICE void	setProperties_ice ()
	Set this material to ice. More...
AMREX_GPU_HOST_DEVICE void	setProperties_water ()
	Set this material to water. More...
AMREX_GPU_HOST_DEVICE void	setProperties_agua ()
	Set this material to agua. More...
AMREX_GPU_HOST_DEVICE void	setProperties_NaCl ()
	Set this material to NaCl. More...
AMREX_GPU_HOST_DEVICE void	setProperties_NH42SO4 ()
	Set this material to ammonium sulfate. More...
AMREX_GPU_HOST_DEVICE void	setProperties_NH4HSO4 ()
	Set this material to ammonium bisulfate. More...
AMREX_GPU_HOST_DEVICE void	setProperties_soil ()
	Set this material to soil. More...
AMREX_GPU_HOST AMREX_FORCE_INLINE void	computeSaturationPressure (amrex::MultiFab &a_e, const amrex::MultiFab &a_T) const
	Compute saturation pressure. More...
AMREX_GPU_HOST AMREX_FORCE_INLINE void	computeSaturationVapFrac (amrex::MultiFab &a_S, const amrex::MultiFab &a_T, const amrex::MultiFab &a_p) const
	Compute saturation vapour fraction. More...
Public Member Functions inherited from MaterialPropertiesCore
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real	molarHeatCapacity (const amrex::Real a_T) const
	Return the molar heat capacity. More...
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real	surfaceTension (const amrex::Real a_T) const
	Compute the surface tension coeff given temperature. More...
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real	coeffCurv (const amrex::Real a_T) const
	Return the coeff of curvature given the temperature. More...
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real	coeffVPSolute () const
	Return the vapour pressure coefficient. More...
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real	coeffMolecularDiffusion (const amrex::Real a_T, const amrex::Real a_P) const
	Return the molecular diffusion coefficient given temperature and pressure. More...

Public Attributes
Species::Name	m_name = Species::Name::none
decltype(saturation_funcs::compute_saturation_pressure_null) *	m_saturation_pressure_func = nullptr
decltype(saturation_funcs::compute_saturation_vapfrac_null) *	m_saturation_vapfrac_func = nullptr
Public Attributes inherited from MaterialPropertiesCore
amrex::Real	m_density = std::numeric_limits<double>::max()
amrex::Real	m_ionization = std::numeric_limits<double>::max()
amrex::Real	m_mol_weight = std::numeric_limits<double>::max()
amrex::Real	m_lat_vap = std::numeric_limits<double>::max()
amrex::Real	m_lat_fus = std::numeric_limits<double>::max()
amrex::Real	m_Rv = std::numeric_limits<double>::max()
amrex::Real	m_Tc = std::numeric_limits<double>::max()
amrex::Real	m_Tb = std::numeric_limits<double>::max()
amrex::Real	m_Nav_by_molweight = std::numeric_limits<float>::max()
amrex::Real	m_mol_Cp_coeffs [7]
bool	m_is_soluble = false
bool	m_is_water = false
bool	m_is_INP = false

Additional Inherited Members
Static Public Attributes inherited from MaterialPropertiesCore
static constexpr amrex::Real	s_N_av = amrex::Real(6.02214076e23)
static constexpr amrex::Real	s_kb = amrex::Real(1.380649e-23)
static constexpr amrex::Real	s_mol_weight_air = amrex::Real(0.0289647)
static constexpr amrex::Real	s_sigma_air = amrex::Real(3.62e-10)
static constexpr amrex::Real	s_eps_air_k = 97

Detailed Description

Class for material properties

Constructor & Destructor Documentation

MaterialProperties() [1/2]

AMREX_GPU_HOST_DEVICE MaterialProperties::MaterialProperties

(

const Species::Name &

a_name

)

Constructor.

Initialize material properties based on species name.

Parameters

[in]

a_name

Name of the species.

{
    m_name = a_name;
 
    if (a_name == Species::Name::H2O) {
        setProperties_H2O();
    } else if (a_name == Species::Name::ice) {
        setProperties_ice();
    } else if (a_name == Species::Name::water) {
        setProperties_water();
    } else if (a_name == Species::Name::agua) {
        setProperties_agua();
    } else if (a_name == Species::Name::NaCl) {
        setProperties_NaCl();
    } else if (a_name == Species::Name::NH42SO4) {
        setProperties_NH42SO4();
    } else if (a_name == Species::Name::NH4HSO4) {
        setProperties_NH4HSO4();
    } else if (a_name == Species::Name::soil) {
        setProperties_soil();
    } else {
        amrex::Abort("ERROR: undefined material in MaterialProperties()");
    }
    m_is_soluble = (m_ionization > 0);
}

MaterialProperties() [2/2]

AMREX_GPU_HOST_DEVICE MaterialProperties::MaterialProperties

(

const MaterialProperties &

a_matprop

)

Copy constructor.

Copy constructor for material properties.

Parameters

[in]

a_matprop

Source material properties.

{
    m_name = a_matprop.m_name;
    m_density = a_matprop.m_density;
    m_ionization = a_matprop.m_ionization;
    m_mol_weight = a_matprop.m_mol_weight;
    m_lat_vap = a_matprop.m_lat_vap;
    m_lat_fus = a_matprop.m_lat_fus;
    m_Rv = a_matprop.m_Rv;
    m_Tc = a_matprop.m_Tc;
    m_Tb = a_matprop.m_Tb;
    m_Nav_by_molweight = a_matprop.m_Nav_by_molweight;
    for (auto i = 0; i < 7; i++) { m_mol_Cp_coeffs[i] = a_matprop.m_mol_Cp_coeffs[i]; }
    m_is_soluble = a_matprop.m_is_soluble;
    m_is_water = a_matprop.m_is_water;
    m_is_INP = a_matprop.m_is_INP;
    AMREX_IF_ON_HOST((
        m_saturation_pressure_func = a_matprop.m_saturation_pressure_func;
        m_saturation_vapfrac_func = a_matprop.m_saturation_vapfrac_func;
    ))
}

~MaterialProperties()

AMREX_GPU_HOST_DEVICE MaterialProperties::~MaterialProperties ( )

default

Default destructor.

Member Function Documentation

computeSaturationPressure()

AMREX_GPU_HOST AMREX_FORCE_INLINE void MaterialProperties::computeSaturationPressure ( amrex::MultiFab &  a_e, const amrex::MultiFab &  a_T  ) const

inline

Compute saturation pressure.

    {
        m_saturation_pressure_func(a_e, a_T);
    }

computeSaturationVapFrac()

AMREX_GPU_HOST AMREX_FORCE_INLINE void MaterialProperties::computeSaturationVapFrac ( amrex::MultiFab &  a_S, const amrex::MultiFab &  a_T, const amrex::MultiFab &  a_p  ) const

inline

Compute saturation vapour fraction.

    {
        m_saturation_vapfrac_func(a_S, a_T, a_p);
    }

print()

AMREX_GPU_HOST void MaterialProperties::print ( ) const

inline

Print parameters.

                       {
        amrex::Print() << "Material properties of " << amrex::getEnumNameString(m_name) << ":\n";
        amrex::Print() << "    density: " << m_density << "\n";
        amrex::Print() << "    ionization: " << m_ionization << "\n";
        amrex::Print() << "    mol. weight: " << m_mol_weight << "\n";
        amrex::Print() << "    latent heat (vap.): " << m_lat_vap << "\n";
        amrex::Print() << "    latent heat (fus.): " << m_lat_fus << "\n";
        amrex::Print() << "    Rv: " << m_Rv << "\n";
        amrex::Print() << "    Tc: " << m_Tc << "\n";
        amrex::Print() << "    Tb: " << m_Tb << "\n";
        amrex::Print() << "    N_av/mol.weight: " << m_Nav_by_molweight << "\n";
        amrex::Print() << "    mol. Cp coeffs: ";
        for (int i = 0; i < 7; i++) { amrex::Print() << m_mol_Cp_coeffs[i] << ", "; }
        amrex::Print() << "\n";
    }

setProperties_agua()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_agua

(

)

Set this material to agua.

{
    setProperties_H2O();
}

setProperties_H2O()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_H2O

(

)

Set this material to H20.

{
    m_density = rhor; // ERF_Constants.H
 
    m_ionization = 0;
    m_mol_weight = Real(1.802e-02); // kg mol^-1
    m_lat_vap = L_v; // ERF_Constants.H
    m_lat_fus = lfus; // ERF_Constants.H
    m_Rv = R_v; // ERF_Constants.H
    m_Tb = Real(373.15); // K
    m_Nav_by_molweight = s_N_av / m_mol_weight;
    m_is_water = true;
 
    AMREX_IF_ON_HOST((
        m_saturation_pressure_func = saturation_funcs::compute_saturation_pressure_H2O;
        m_saturation_vapfrac_func = saturation_funcs::compute_saturation_vapfrac_H2O;
    ))
 
}

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setProperties_ice()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_ice

(

)

Set this material to ice.

{
    m_density = amrex::Real(916.80); // kg m^{-3}
 
    m_ionization = 0;
    m_mol_weight = amrex::Real(1.802e-02); // kg mol^-1
    m_lat_vap = amrex::Real(2.8342e6); // J kg^{-1} (latent heat of sublimation)
    m_lat_fus = lfus; // ERF_Constants.H
    m_Rv = R_v; // ERF_Constants.H
    m_Tb = tboil; // K
    m_Nav_by_molweight = s_N_av / m_mol_weight;
 
    AMREX_IF_ON_HOST((
        m_saturation_pressure_func = saturation_funcs::compute_saturation_pressure_ice;
        m_saturation_vapfrac_func = saturation_funcs::compute_saturation_vapfrac_ice;
    ))
 
}

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setProperties_NaCl()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_NaCl

(

)

Set this material to NaCl.

{
    m_density = Real(2170.0);
 
    m_ionization = 2;
    m_mol_weight = Real(5.844e-02); //kg mol^-1
 
    m_saturation_pressure_func = nullptr;
    m_saturation_vapfrac_func = nullptr;
}

setProperties_NH42SO4()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_NH42SO4

(

)

Set this material to ammonium sulfate.

{
    m_density = Real(1770.0);
 
    m_ionization = 3; // 2xNH4 + 1xSO4
    m_mol_weight = Real(1.3214e-01); //kg mol^-1
 
    m_saturation_pressure_func = nullptr;
    m_saturation_vapfrac_func = nullptr;
}

setProperties_NH4HSO4()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_NH4HSO4

(

)

Set this material to ammonium bisulfate.

{
    m_density = Real(1780.0);
 
    m_ionization = 2; // NH4+ and HSO4-
    m_mol_weight = Real(1.1511e-01); //kg mol^-1
 
    m_saturation_pressure_func = nullptr;
    m_saturation_vapfrac_func = nullptr;
}

setProperties_soil()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_soil

(

)

Set this material to soil.

{
    m_density = Real(1220.0); // loose dry dirt
 
    m_ionization = 0;
    m_is_INP = true; // soil/mineral dust can act as ice nucleating particle
 
    m_saturation_pressure_func = nullptr;
    m_saturation_vapfrac_func = nullptr;
}

setProperties_water()

AMREX_GPU_HOST_DEVICE void MaterialProperties::setProperties_water

(

)

Set this material to water.

{
    setProperties_H2O();
}

Member Data Documentation

m_name

Species::Name MaterialProperties::m_name = Species::Name::none

name

Referenced by MaterialProperties(), and print().

m_saturation_pressure_func

decltype(saturation_funcs::compute_saturation_pressure_null) * MaterialProperties::m_saturation_pressure_func = nullptr

pointer to function to compute saturation pressure

Referenced by computeSaturationPressure(), and MaterialProperties().

m_saturation_vapfrac_func

decltype(saturation_funcs::compute_saturation_vapfrac_null) * MaterialProperties::m_saturation_vapfrac_func = nullptr

pointer to function to compute vapour fraction

Referenced by computeSaturationVapFrac(), and MaterialProperties().

---

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

• Source/MaterialProperties/ERF_MaterialProperties.H
• Source/MaterialProperties/ERF_MaterialProperties.cpp