8 #ifndef CT_GAS_TRANSPORT_H
9 #define CT_GAS_TRANSPORT_H
128 double* astar_coeffs,
129 double* bstar_coeffs,
130 double* cstar_coeffs)
const override;
147 double* astar_coeffs,
148 double* bstar_coeffs,
149 double* cstar_coeffs,
bool actualT)
override;
160 virtual void update_T();
161 virtual void update_C() = 0;
290 size_t j,
double xk,
double xj,
291 double& fkj,
double& fjk);
Headers for the DenseMatrix object, which deals with dense rectangular matrices and description of th...
Headers for the Transport object, which is the virtual base class for all transport property evaluato...
A class for full (non-sparse) matrices with Fortran-compatible data storage, which adds matrix operat...
Class GasTransport implements some functions and properties that are shared by the MixTransport and M...
vector< bool > m_polar
Vector of booleans indicating whether a species is a polar molecule.
void getTransportData()
Read the transport database.
virtual void setupCollisionParameters()
Setup parameters for a new kinetic-theory-based transport manager for low-density gases.
double m_t14
Current value of temperature to 1/4 power.
vector< double > m_mw
Local copy of the species molecular weights.
vector< double > m_molefracs
Vector of species mole fractions.
void getBinaryDiffCoeffs(const size_t ld, double *const d) override
Returns the matrix of binary diffusion coefficients.
vector< double > m_quad_polar
Quadrupole polarizability.
void setCollisionIntegralPolynomial(size_t i, size_t j, double *astar_coeffs, double *bstar_coeffs, double *cstar_coeffs, bool actualT) override
Modify the polynomial fits to the collision integral of species pair (i, j)
void getCollisionIntegralPolynomial(size_t i, size_t j, double *astar_coeffs, double *bstar_coeffs, double *cstar_coeffs) const override
Return the polynomial fits to the collision integral of species pair (i, j)
void setBinDiffusivityPolynomial(size_t i, size_t j, double *coeffs) override
Modify the polynomial fits to the binary diffusivity of species pair (i, j)
double m_temp
Current value of the temperature at which the properties in this object are calculated (Kelvin).
virtual void fitProperties(MMCollisionInt &integrals)
Generate polynomial fits to the viscosity and conductivity .
vector< vector< double > > m_visccoeffs
Polynomial fits to the viscosity of each species.
bool m_visc_ok
Update boolean for mixture rule for the mixture viscosity.
DenseMatrix m_wratkj1
Holds square roots of molecular weight ratios.
void getMixDiffCoeffs(double *const d) override
Returns the Mixture-averaged diffusion coefficients [m^2/s].
void getSpeciesViscosities(double *const visc) override
Get the pure-species viscosities.
virtual void fitDiffCoeffs(MMCollisionInt &integrals)
Generate polynomial fits to the binary diffusion coefficients.
vector< double > m_disp
Dispersion coefficient.
vector< double > m_eps
Lennard-Jones well-depth of the species in the current phase.
virtual void updateDiff_T()
Update the binary diffusion coefficients.
vector< double > m_sqvisc
vector of square root of species viscosities sqrt(kg /m /s).
DenseMatrix m_wratjk
Holds square roots of molecular weight ratios.
bool m_bindiff_ok
Update boolean for the binary diffusivities at unit pressure.
DenseMatrix m_epsilon
The effective well depth for (i,j) collisions.
void getBinDiffusivityPolynomial(size_t i, size_t j, double *coeffs) const override
Return the polynomial fits to the binary diffusivity of species pair (i, j)
DenseMatrix m_diam
hard-sphere diameter for (i,j) collision
void getMixDiffCoeffsMole(double *const d) override
Returns the mixture-averaged diffusion coefficients [m^2/s].
vector< double > m_spwork
work space length = m_kk
vector< double > m_zrot
Rotational relaxation number for each species.
int m_mode
Type of the polynomial fits to temperature.
bool CKMode() const override
Boolean indicating the form of the transport properties polynomial fits.
double m_logt
Current value of the log of the temperature.
void getViscosityPolynomial(size_t i, double *coeffs) const override
Return the polynomial fits to the viscosity of species i.
void fitCollisionIntegrals(MMCollisionInt &integrals)
Generate polynomial fits to collision integrals.
virtual void updateViscosity_T()
Update the temperature-dependent viscosity terms.
double m_viscmix
Internal storage for the viscosity of the mixture (kg /m /s)
vector< double > m_sigma
Lennard-Jones diameter of the species in the current phase.
bool m_spvisc_ok
Update boolean for the species viscosities.
vector< double > m_visc
vector of species viscosities (kg /m /s).
virtual void updateSpeciesViscosities()
Update the pure-species viscosities.
double m_sqrt_t
current value of temperature to 1/2 power
DenseMatrix m_bdiff
Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is...
vector< vector< double > > m_omega22_poly
Fit for omega22 collision integral.
vector< double > m_polytempvec
Powers of the ln temperature, up to fourth order.
DenseMatrix m_dipole
The effective dipole moment for (i,j) collisions.
vector< double > m_crot
Dimensionless rotational heat capacity of each species.
vector< vector< double > > m_diffcoeffs
Polynomial fits to the binary diffusivity of each species.
void getConductivityPolynomial(size_t i, double *coeffs) const override
Return the temperature fits of the heat conductivity of species i.
void setViscosityPolynomial(size_t i, double *coeffs) override
Modify the polynomial fits to the viscosity of species i.
double m_kbt
Current value of Boltzmann constant times the temperature (Joules)
DenseMatrix m_reducedMass
This is the reduced mass of the interaction between species i and j.
int m_log_level
Level of verbose printing during initialization.
vector< vector< int > > m_star_poly_uses_actualT
Flag to indicate for which (i,j) interaction pairs the actual temperature is used instead of the redu...
double viscosity() override
Viscosity of the mixture (kg /m /s)
vector< double > m_w_ac
Pitzer acentric factor.
vector< vector< double > > m_bstar_poly
Fit for bstar collision integral.
vector< vector< double > > m_astar_poly
Fit for astar collision integral.
vector< vector< int > > m_poly
Indices for the (i,j) interaction in collision integral fits.
vector< vector< double > > m_condcoeffs
temperature fits of the heat conduction
bool m_viscwt_ok
Update boolean for the weighting factors for the mixture viscosity.
vector< vector< double > > m_cstar_poly
Fit for cstar collision integral.
vector< double > m_alpha
Polarizability of each species in the phase.
DenseMatrix m_delta
Reduced dipole moment of the interaction between two species.
DenseMatrix m_phi
m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp
void setupCollisionIntegral()
Setup range for polynomial fits to collision integrals of Monchick & Mason .
void setConductivityPolynomial(size_t i, double *coeffs) override
Modify the temperature fits of the heat conductivity of species i.
void init(ThermoPhase *thermo, int mode=0, int log_level=0) override
Initialize a transport manager.
void makePolarCorrections(size_t i, size_t j, double &f_eps, double &f_sigma)
Corrections for polar-nonpolar binary diffusion coefficients.
void getBinDiffCorrection(double t, MMCollisionInt &integrals, size_t k, size_t j, double xk, double xj, double &fkj, double &fjk)
Second-order correction to the binary diffusion coefficients.
void getMixDiffCoeffsMass(double *const d) override
Returns the mixture-averaged diffusion coefficients [m^2/s].
Calculation of Collision integrals.
Base class for a phase with thermodynamic properties.
Base class for transport property managers.
ThermoPhase & thermo()
Phase object.
Namespace for the Cantera kernel.