GasTransport.h Source File#
GasTransport.h
Go to the documentation of this file.
78 * D_{km}' = \frac{\left( \bar{M} - X_k M_k \right)}{ \bar{\qquad M \qquad } } {\left( \sum_{j \ne k} \frac{X_j}{D_{kj}} \right) }^{-1}
171 * \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 }
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...
Definition DenseMatrix.h:55
Class GasTransport implements some functions and properties that are shared by the MixTransport and M...
Definition GasTransport.h:26
vector< bool > m_polar
Vector of booleans indicating whether a species is a polar molecule.
Definition GasTransport.h:462
virtual void setupCollisionParameters()
Setup parameters for a new kinetic-theory-based transport manager for low-density gases.
Definition GasTransport.cpp:293
void getBinaryDiffCoeffs(const size_t ld, double *const d) override
Returns the matrix of binary diffusion coefficients.
Definition GasTransport.cpp:149
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)
Definition GasTransport.cpp:895
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)
Definition GasTransport.cpp:836
void setBinDiffusivityPolynomial(size_t i, size_t j, double *coeffs) override
Modify the polynomial fits to the binary diffusivity of species pair (i, j)
Definition GasTransport.cpp:874
double m_temp
Current value of the temperature at which the properties in this object are calculated (Kelvin).
Definition GasTransport.h:361
virtual void fitProperties(MMCollisionInt &integrals)
Generate polynomial fits to the viscosity and conductivity .
Definition GasTransport.cpp:497
vector< vector< double > > m_visccoeffs
Polynomial fits to the viscosity of each species.
Definition GasTransport.h:331
bool m_visc_ok
Update boolean for mixture rule for the mixture viscosity.
Definition GasTransport.h:303
void getMixDiffCoeffs(double *const d) override
Returns the Mixture-averaged diffusion coefficients [m^2/s].
Definition GasTransport.cpp:167
void getSpeciesViscosities(double *const visc) override
Get the pure-species viscosities.
Definition GasTransport.h:51
virtual void fitDiffCoeffs(MMCollisionInt &integrals)
Generate polynomial fits to the binary diffusion coefficients.
Definition GasTransport.cpp:676
vector< double > m_eps
Lennard-Jones well-depth of the species in the current phase.
Definition GasTransport.h:475
vector< double > m_sqvisc
vector of square root of species viscosities sqrt(kg /m /s).
Definition GasTransport.h:354
bool m_bindiff_ok
Update boolean for the binary diffusivities at unit pressure.
Definition GasTransport.h:312
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)
Definition GasTransport.cpp:821
void getMixDiffCoeffsMole(double *const d) override
Returns the mixture-averaged diffusion coefficients [m^2/s].
Definition GasTransport.cpp:198
bool CKMode() const override
Boolean indicating the form of the transport properties polynomial fits.
Definition GasTransport.h:153
void getViscosityPolynomial(size_t i, double *coeffs) const override
Return the polynomial fits to the viscosity of species i.
Definition GasTransport.cpp:807
void fitCollisionIntegrals(MMCollisionInt &integrals)
Generate polynomial fits to collision integrals.
Definition GasTransport.cpp:446
virtual void updateViscosity_T()
Update the temperature-dependent viscosity terms.
Definition GasTransport.cpp:84
double m_viscmix
Internal storage for the viscosity of the mixture (kg /m /s)
Definition GasTransport.h:300
vector< double > m_sigma
Lennard-Jones diameter of the species in the current phase.
Definition GasTransport.h:481
virtual void updateSpeciesViscosities()
Update the pure-species viscosities.
Definition GasTransport.cpp:105
DenseMatrix m_bdiff
Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is...
Definition GasTransport.h:392
vector< vector< double > > m_omega22_poly
Fit for omega22 collision integral.
Definition GasTransport.h:414
vector< double > m_polytempvec
Powers of the ln temperature, up to fourth order.
Definition GasTransport.h:357
vector< double > m_crot
Dimensionless rotational heat capacity of each species.
Definition GasTransport.h:456
vector< vector< double > > m_diffcoeffs
Polynomial fits to the binary diffusivity of each species.
Definition GasTransport.h:388
void getConductivityPolynomial(size_t i, double *coeffs) const override
Return the temperature fits of the heat conductivity of species i.
Definition GasTransport.cpp:814
void setViscosityPolynomial(size_t i, double *coeffs) override
Modify the polynomial fits to the viscosity of species i.
Definition GasTransport.cpp:848
double m_kbt
Current value of Boltzmann constant times the temperature (Joules)
Definition GasTransport.h:364
DenseMatrix m_reducedMass
This is the reduced mass of the interaction between species i and j.
Definition GasTransport.h:491
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...
Definition GasTransport.h:418
vector< vector< double > > m_bstar_poly
Fit for bstar collision integral.
Definition GasTransport.h:434
vector< vector< double > > m_astar_poly
Fit for astar collision integral.
Definition GasTransport.h:426
vector< vector< int > > m_poly
Indices for the (i,j) interaction in collision integral fits.
Definition GasTransport.h:406
vector< vector< double > > m_condcoeffs
temperature fits of the heat conduction
Definition GasTransport.h:399
bool m_viscwt_ok
Update boolean for the weighting factors for the mixture viscosity.
Definition GasTransport.h:306
vector< vector< double > > m_cstar_poly
Fit for cstar collision integral.
Definition GasTransport.h:442
DenseMatrix m_delta
Reduced dipole moment of the interaction between two species.
Definition GasTransport.h:530
DenseMatrix m_phi
m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp
Definition GasTransport.h:319
void setupCollisionIntegral()
Setup range for polynomial fits to collision integrals of Monchick & Mason .
Definition GasTransport.cpp:354
void setConductivityPolynomial(size_t i, double *coeffs) override
Modify the temperature fits of the heat conductivity of species i.
Definition GasTransport.cpp:861
void init(ThermoPhase *thermo, int mode=0, int log_level=0) override
Initialize a transport manager.
Definition GasTransport.cpp:261
void makePolarCorrections(size_t i, size_t j, double &f_eps, double &f_sigma)
Corrections for polar-nonpolar binary diffusion coefficients.
Definition GasTransport.cpp:421
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.
Definition GasTransport.cpp:755
void getMixDiffCoeffsMass(double *const d) override
Returns the mixture-averaged diffusion coefficients [m^2/s].
Definition GasTransport.cpp:228
Base class for a phase with thermodynamic properties.
Definition ThermoPhase.h:390
Generated by 1.9.7