Base structure containing material property constants and methods for GPU usage. More...

#include <ERF_MaterialProperties.H>

Inheritance diagram for MaterialPropertiesCore:

Collaboration diagram for MaterialPropertiesCore:

Public Member Functions
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
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

Static Public Attributes
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

Base structure containing material property constants and methods for GPU usage.

Member Function Documentation

◆ coeffCurv()

AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real MaterialPropertiesCore::coeffCurv ( const amrex::Real a_T ) const

inline

Return the coeff of curvature given the temperature.

     {
         auto surf_tens = surfaceTension(a_T);
         auto retval = 2 * surf_tens / (m_Rv * m_density);
         return retval;
     }

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◆ coeffMolecularDiffusion()

AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real MaterialPropertiesCore::coeffMolecularDiffusion	(	const amrex::Real	a_T,
		const amrex::Real	a_P
	)		const

inline

Return the molecular diffusion coefficient given temperature and pressure.

     {
         if (m_is_water) {
  
             return diffelq; // from ERF_Constants.H (amrex::Real(2.21e-05) [m^2 s^{-1}])
  
         } else {
  
             auto mol_weight_v = s_N_av/m_Nav_by_molweight;
             auto sigma = amrex::Real(1.18e-8) * std::cbrt(mol_weight_v/m_density);
             auto sigma_v_air = myhalf * (sigma + s_sigma_air);
  
             auto eps_v = amrex::Real(1.15) * m_Tb * s_kb;
             auto eps_v_air = std::sqrt( eps_v * s_eps_air_k * s_kb);
             auto T_star = a_T / (eps_v_air/s_kb);
  
             auto omegaD =    amrex::Real(1.06036) / std::pow(T_star, amrex::Real(0.1561))
                           +  amrex::Real(0.193)   / std::exp(amrex::Real(0.47635)*T_star)
                           +  amrex::Real(1.03587) / std::exp(amrex::Real(1.52996)*T_star)
                           +  amrex::Real(1.76474) / std::exp(amrex::Real(3.89411)*T_star);
  
             auto term1 = 3 * std::sqrt( s_kb*a_T * s_kb*a_T * s_kb*a_T);
             auto term2 = amrex::Real(8.0) * std::sqrt(2*PI) * a_P * sigma_v_air*sigma_v_air * omegaD;
             auto term3 = std::sqrt( m_Nav_by_molweight + s_N_av/s_mol_weight_air );
  
             auto retval = term1*term3/term2;
             return retval;
         }
     }

◆ coeffVPSolute()

AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real MaterialPropertiesCore::coeffVPSolute ( ) const

inline

Return the vapour pressure coefficient.

     {
         auto retval = (amrex::Real(0.75)/PI)*(m_mol_weight/m_density);
         if (m_is_water) {
             retval = amrex::Real(4.3e-06);
         }
         return retval;
     }

◆ molarHeatCapacity()

AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real MaterialPropertiesCore::molarHeatCapacity ( const amrex::Real a_T ) const

inline

Return the molar heat capacity.

     {
         auto retval = zero;
         auto term = one;
         for (auto i = 0; i < 7; i++) {
             retval += (m_mol_Cp_coeffs[i] * term);
             term *= a_T;
         }
         return retval;
     }

Referenced by surfaceTension().

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◆ surfaceTension()

AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE amrex::Real MaterialPropertiesCore::surfaceTension ( const amrex::Real a_T ) const

inline

Compute the surface tension coeff given temperature.

     {
         if (m_is_water) {
             return amrex::Real(0.076148325); // N m^{-1}
         } else {
             auto term1 = amrex::Real(6.0) * std::cbrt(s_N_av);
             auto term2 = std::cbrt((m_density/m_mol_weight)*(m_density/m_mol_weight));
             auto retval = molarHeatCapacity(a_T)*(term2/term1)*(m_Tc - a_T);
             return retval;
         }
     }

Referenced by coeffCurv().

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Member Data Documentation

◆ m_density

amrex::Real MaterialPropertiesCore::m_density = std::numeric_limits<double>::max()

density

Referenced by coeffCurv(), coeffMolecularDiffusion(), coeffVPSolute(), MaterialProperties::MaterialProperties(), MaterialProperties::print(), and surfaceTension().

◆ m_ionization

amrex::Real MaterialPropertiesCore::m_ionization = std::numeric_limits<double>::max()

ionization

Referenced by MaterialProperties::MaterialProperties(), and MaterialProperties::print().

◆ m_is_INP

bool MaterialPropertiesCore::m_is_INP = false

can act as ice nucleating particle?

Referenced by MaterialProperties::MaterialProperties().

◆ m_is_soluble

bool MaterialPropertiesCore::m_is_soluble = false

is soluble in water?

Referenced by MaterialProperties::MaterialProperties().

◆ m_is_water

bool MaterialPropertiesCore::m_is_water = false

is this water?

Referenced by coeffMolecularDiffusion(), coeffVPSolute(), MaterialProperties::MaterialProperties(), and surfaceTension().

◆ m_lat_fus

amrex::Real MaterialPropertiesCore::m_lat_fus = std::numeric_limits<double>::max()

latent heat of fusion

Referenced by MaterialProperties::MaterialProperties(), and MaterialProperties::print().

◆ m_lat_vap

amrex::Real MaterialPropertiesCore::m_lat_vap = std::numeric_limits<double>::max()

latent heat of vaporization

Referenced by MaterialProperties::MaterialProperties(), and MaterialProperties::print().

◆ m_mol_Cp_coeffs

amrex::Real MaterialPropertiesCore::m_mol_Cp_coeffs[7]

Initial value:

= {  std::numeric_limits<amrex::Real>::max(),
                                        std::numeric_limits<amrex::Real>::max(),
                                        std::numeric_limits<amrex::Real>::max(),
                                        std::numeric_limits<amrex::Real>::max(),
                                        std::numeric_limits<amrex::Real>::max(),
                                        std::numeric_limits<amrex::Real>::max(),
                                        std::numeric_limits<amrex::Real>::max() }

vector of molar heat capacity polynomial coeffs

Referenced by MaterialProperties::MaterialProperties(), molarHeatCapacity(), and MaterialProperties::print().

◆ m_mol_weight

amrex::Real MaterialPropertiesCore::m_mol_weight = std::numeric_limits<double>::max()

molecular weight (condensate)

Referenced by coeffVPSolute(), MaterialProperties::MaterialProperties(), MaterialProperties::print(), and surfaceTension().

◆ m_Nav_by_molweight

amrex::Real MaterialPropertiesCore::m_Nav_by_molweight = std::numeric_limits<float>::max()

Avogadro number by vapour mol. weight

Referenced by coeffMolecularDiffusion(), MaterialProperties::MaterialProperties(), and MaterialProperties::print().

◆ m_Rv

amrex::Real MaterialPropertiesCore::m_Rv = std::numeric_limits<double>::max()

gas constant for vapour of this material

Referenced by coeffCurv(), MaterialProperties::MaterialProperties(), and MaterialProperties::print().

◆ m_Tb

amrex::Real MaterialPropertiesCore::m_Tb = std::numeric_limits<double>::max()

boiling temperature

Referenced by coeffMolecularDiffusion(), MaterialProperties::MaterialProperties(), and MaterialProperties::print().

◆ m_Tc

amrex::Real MaterialPropertiesCore::m_Tc = std::numeric_limits<double>::max()

critical temperature for surface tension

Referenced by MaterialProperties::MaterialProperties(), MaterialProperties::print(), and surfaceTension().

◆ s_eps_air_k

constexpr amrex::Real MaterialPropertiesCore::s_eps_air_k = 97

staticconstexpr

Temperature parameter for air [K]

Referenced by coeffMolecularDiffusion().

◆ s_kb

constexpr amrex::Real MaterialPropertiesCore::s_kb = amrex::Real(1.380649e-23)

staticconstexpr

Boltzmann constant [J K^{-1}]

Referenced by coeffMolecularDiffusion().

◆ s_mol_weight_air

constexpr amrex::Real MaterialPropertiesCore::s_mol_weight_air = amrex::Real(0.0289647)

staticconstexpr

Molecular weight of air [kg mol^{-1}]

Referenced by coeffMolecularDiffusion().

◆ s_N_av

constexpr amrex::Real MaterialPropertiesCore::s_N_av = amrex::Real(6.02214076e23)

staticconstexpr

Avogadro's number

Referenced by coeffMolecularDiffusion(), and surfaceTension().

◆ s_sigma_air

constexpr amrex::Real MaterialPropertiesCore::s_sigma_air = amrex::Real(3.62e-10)

staticconstexpr

Molecular length scale of air [m]

Referenced by coeffMolecularDiffusion().

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

Source/MaterialProperties/ERF_MaterialProperties.H

Public Member Functions

Public Attributes

Static Public Attributes

Detailed Description

Member Function Documentation

◆ coeffCurv()

◆ coeffMolecularDiffusion()

◆ coeffVPSolute()

◆ molarHeatCapacity()

◆ surfaceTension()

Member Data Documentation

◆ m_density

◆ m_ionization

◆ m_is_INP

◆ m_is_soluble

◆ m_is_water

◆ m_lat_fus

◆ m_lat_vap

◆ m_mol_Cp_coeffs

◆ m_mol_weight

◆ m_Nav_by_molweight

◆ m_Rv

◆ m_Tb

◆ m_Tc

◆ s_eps_air_k

◆ s_kb

◆ s_mol_weight_air

◆ s_N_av

◆ s_sigma_air