Cantera
3.1.0a1
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Base class for a phase with plasma properties. More...
#include <PlasmaPhase.h>
Base class for a phase with plasma properties.
This class manages the plasma properties such as electron energy distribution function (EEDF). There are two ways to define the electron distribution and electron temperature. The first method uses setElectronTemperature() to set the electron temperature which is used to calculate the electron energy distribution with isotropic-velocity model. The generalized electron energy distribution for isotropic-velocity distribution can be expressed as [1,2],
\[ f(\epsilon) = c_1 \frac{\sqrt{\epsilon}}{\epsilon_m^{3/2}} \exp(-c_2 (\frac{\epsilon}{\epsilon_m})^x), \]
where \( x = 1 \) and \( x = 2 \) correspond to the Maxwellian and Druyvesteyn (default) electron energy distribution, respectively. \( \epsilon_m = 3/2 T_e \) [eV] (mean electron energy). The second method uses setDiscretizedElectronEnergyDist() to manually set electron energy distribution and calculate electron temperature from mean electron energy, which is calculated as [3],
\[ \epsilon_m = \int_0^{\infty} \epsilon^{3/2} f(\epsilon) d\epsilon, \]
which can be calculated using trapezoidal rule,
\[ \epsilon_m = \sum_i (\epsilon^{5/2}_{i+1} - \epsilon^{5/2}_i) (f(\epsilon_{i+1}) + f(\epsilon_i)) / 2, \]
where \( i \) is the index of energy levels.
For references, see Gudmundsson [9]; Khalilpour and Foroutan [17]; Hagelaar and Pitchford [10], and BOLOS [23].
Definition at line 57 of file PlasmaPhase.h.
Public Member Functions | |
PlasmaPhase (const string &inputFile="", const string &id="") | |
Construct and initialize a PlasmaPhase object directly from an input file. More... | |
string | type () const override |
String indicating the thermodynamic model implemented. More... | |
void | initThermo () override |
Initialize the ThermoPhase object after all species have been set up. More... | |
void | setElectronEnergyLevels (const double *levels, size_t length) |
Set electron energy levels. More... | |
void | getElectronEnergyLevels (double *levels) const |
Get electron energy levels. More... | |
void | setDiscretizedElectronEnergyDist (const double *levels, const double *distrb, size_t length) |
Set discretized electron energy distribution. More... | |
void | getElectronEnergyDistribution (double *distrb) const |
Get electron energy distribution. More... | |
void | setIsotropicShapeFactor (double x) |
Set the shape factor of isotropic electron energy distribution. More... | |
double | isotropicShapeFactor () const |
The shape factor of isotropic electron energy distribution. More... | |
void | setElectronTemperature (double Te) override |
Set the internally stored electron temperature of the phase (K). More... | |
void | setMeanElectronEnergy (double energy) |
Set mean electron energy [eV]. More... | |
string | electronEnergyDistributionType () const |
Get electron energy distribution type. More... | |
void | setElectronEnergyDistributionType (const string &type) |
Set electron energy distribution type. More... | |
string | quadratureMethod () const |
Numerical quadrature method. Method: m_quadratureMethod. More... | |
void | setQuadratureMethod (const string &method) |
Set numerical quadrature method for integrating electron energy distribution function. More... | |
double | meanElectronEnergy () const |
Mean electron energy [eV]. More... | |
void | enableNormalizeElectronEnergyDist (bool enable) |
Set flag of automatically normalize electron energy distribution Flag: m_do_normalizeElectronEnergyDist. More... | |
bool | normalizeElectronEnergyDistEnabled () const |
Flag of automatically normalize electron energy distribution. More... | |
bool | addSpecies (shared_ptr< Species > spec) override |
Add a Species to this Phase. More... | |
double | electronTemperature () const override |
Electron Temperature (K) More... | |
double | RTe () const |
Return the Gas Constant multiplied by the current electron temperature. More... | |
virtual double | electronPressure () const |
Electron pressure. More... | |
size_t | nElectronEnergyLevels () const |
Number of electron levels. More... | |
size_t | electronSpeciesIndex () const |
Electron Species Index. More... | |
double | enthalpy_mole () const override |
Return the Molar enthalpy. Units: J/kmol. More... | |
double | cp_mole () const override |
Molar heat capacity at constant pressure. More... | |
double | entropy_mole () const override |
Molar entropy. More... | |
double | gibbs_mole () const override |
Molar Gibbs function. Units: J/kmol. More... | |
double | intEnergy_mole () const override |
Molar internal energy. Units: J/kmol. More... | |
void | getEntropy_R (double *sr) const override |
Get the array of nondimensional Entropy functions for the standard state species at the current T and P of the solution. More... | |
void | getGibbs_RT (double *grt) const override |
Get the nondimensional Gibbs functions for the species in their standard states at the current T and P of the solution. More... | |
void | getGibbs_ref (double *g) const override |
Returns the vector of the Gibbs function of the reference state at the current temperature of the solution and the reference pressure for the species. More... | |
void | getStandardVolumes_ref (double *vol) const override |
Get the molar volumes of the species reference states at the current T and P_ref of the solution. More... | |
void | getChemPotentials (double *mu) const override |
Get the species chemical potentials. Units: J/kmol. More... | |
void | getStandardChemPotentials (double *muStar) const override |
Get the array of chemical potentials at unit activity for the species at their standard states at the current T and P of the solution. More... | |
void | getPartialMolarEnthalpies (double *hbar) const override |
Returns an array of partial molar enthalpies for the species in the mixture. More... | |
void | getPartialMolarEntropies (double *sbar) const override |
Returns an array of partial molar entropies of the species in the solution. More... | |
void | getPartialMolarIntEnergies (double *ubar) const override |
Return an array of partial molar internal energies for the species in the mixture. More... | |
void | getParameters (AnyMap &phaseNode) const override |
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using the newThermo(AnyMap&) function. More... | |
void | setParameters (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap()) override |
Set equation of state parameters from an AnyMap phase description. More... | |
Public Member Functions inherited from IdealGasPhase | |
IdealGasPhase (const string &inputFile="", const string &id="") | |
Construct and initialize an IdealGasPhase ThermoPhase object directly from an input file. More... | |
bool | isIdeal () const override |
Boolean indicating whether phase is ideal. More... | |
string | phaseOfMatter () const override |
String indicating the mechanical phase of the matter in this Phase. More... | |
void | setToEquilState (const double *mu_RT) override |
This method is used by the ChemEquil equilibrium solver. More... | |
double | cv_mole () const override |
Molar heat capacity at constant volume. More... | |
double | pressure () const override |
Pressure. More... | |
void | setPressure (double p) override |
Set the pressure at constant temperature and composition. More... | |
void | setState_DP (double rho, double p) override |
Set the density and pressure at constant composition. More... | |
double | isothermalCompressibility () const override |
Returns the isothermal compressibility. Units: 1/Pa. More... | |
double | thermalExpansionCoeff () const override |
Return the volumetric thermal expansion coefficient. Units: 1/K. More... | |
double | soundSpeed () const override |
Return the speed of sound. Units: m/s. More... | |
void | getActivityConcentrations (double *c) const override |
This method returns the array of generalized concentrations. More... | |
double | standardConcentration (size_t k=0) const override |
Returns the standard concentration \( C^0_k \), which is used to normalize the generalized concentration. More... | |
void | getActivityCoefficients (double *ac) const override |
Get the array of non-dimensional activity coefficients at the current solution temperature, pressure, and solution concentration. More... | |
void | getPartialMolarCp (double *cpbar) const override |
Return an array of partial molar heat capacities for the species in the mixture. More... | |
void | getPartialMolarVolumes (double *vbar) const override |
Return an array of partial molar volumes for the species in the mixture. More... | |
void | getEnthalpy_RT (double *hrt) const override |
Get the nondimensional Enthalpy functions for the species at their standard states at the current T and P of the solution. More... | |
void | getPureGibbs (double *gpure) const override |
Get the Gibbs functions for the standard state of the species at the current T and P of the solution. More... | |
void | getIntEnergy_RT (double *urt) const override |
Returns the vector of nondimensional Internal Energies of the standard state species at the current T and P of the solution. More... | |
void | getCp_R (double *cpr) const override |
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the current T and P of the solution. More... | |
void | getStandardVolumes (double *vol) const override |
Get the molar volumes of the species standard states at the current T and P of the solution. More... | |
void | getEnthalpy_RT_ref (double *hrt) const override |
Returns the vector of nondimensional enthalpies of the reference state at the current temperature of the solution and the reference pressure for the species. More... | |
void | getGibbs_RT_ref (double *grt) const override |
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temperature of the solution and the reference pressure for the species. More... | |
void | getEntropy_R_ref (double *er) const override |
Returns the vector of nondimensional entropies of the reference state at the current temperature of the solution and the reference pressure for each species. More... | |
void | getIntEnergy_RT_ref (double *urt) const override |
Returns the vector of nondimensional internal Energies of the reference state at the current temperature of the solution and the reference pressure for each species. More... | |
void | getCp_R_ref (double *cprt) const override |
Returns the vector of nondimensional constant pressure heat capacities of the reference state at the current temperature of the solution and reference pressure for each species. More... | |
const vector< double > & | enthalpy_RT_ref () const |
Returns a reference to the dimensionless reference state enthalpy vector. More... | |
const vector< double > & | gibbs_RT_ref () const |
Returns a reference to the dimensionless reference state Gibbs free energy vector. More... | |
const vector< double > & | entropy_R_ref () const |
Returns a reference to the dimensionless reference state Entropy vector. More... | |
const vector< double > & | cp_R_ref () const |
Returns a reference to the dimensionless reference state Heat Capacity vector. More... | |
Public Member Functions inherited from ThermoPhase | |
ThermoPhase ()=default | |
Constructor. More... | |
double | RT () const |
Return the Gas Constant multiplied by the current temperature. More... | |
double | equivalenceRatio () const |
Compute the equivalence ratio for the current mixture from available oxygen and required oxygen. More... | |
string | type () const override |
String indicating the thermodynamic model implemented. More... | |
virtual double | refPressure () const |
Returns the reference pressure in Pa. More... | |
virtual double | minTemp (size_t k=npos) const |
Minimum temperature for which the thermodynamic data for the species or phase are valid. More... | |
double | Hf298SS (const size_t k) const |
Report the 298 K Heat of Formation of the standard state of one species (J kmol-1) More... | |
virtual void | modifyOneHf298SS (const size_t k, const double Hf298New) |
Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1) More... | |
virtual void | resetHf298 (const size_t k=npos) |
Restore the original heat of formation of one or more species. More... | |
virtual double | maxTemp (size_t k=npos) const |
Maximum temperature for which the thermodynamic data for the species are valid. More... | |
bool | chargeNeutralityNecessary () const |
Returns the chargeNeutralityNecessity boolean. More... | |
void | setElectricPotential (double v) |
Set the electric potential of this phase (V). More... | |
double | electricPotential () const |
Returns the electric potential of this phase (V). More... | |
virtual int | activityConvention () const |
This method returns the convention used in specification of the activities, of which there are currently two, molar- and molality-based conventions. More... | |
virtual int | standardStateConvention () const |
This method returns the convention used in specification of the standard state, of which there are currently two, temperature based, and variable pressure based. More... | |
virtual Units | standardConcentrationUnits () const |
Returns the units of the "standard concentration" for this phase. More... | |
virtual double | logStandardConc (size_t k=0) const |
Natural logarithm of the standard concentration of the kth species. More... | |
virtual void | getActivities (double *a) const |
Get the array of non-dimensional activities at the current solution temperature, pressure, and solution concentration. More... | |
virtual void | getLnActivityCoefficients (double *lnac) const |
Get the array of non-dimensional molar-based ln activity coefficients at the current solution temperature, pressure, and solution concentration. More... | |
void | getElectrochemPotentials (double *mu) const |
Get the species electrochemical potentials. More... | |
double | enthalpy_mass () const |
Specific enthalpy. Units: J/kg. More... | |
double | intEnergy_mass () const |
Specific internal energy. Units: J/kg. More... | |
double | entropy_mass () const |
Specific entropy. Units: J/kg/K. More... | |
double | gibbs_mass () const |
Specific Gibbs function. Units: J/kg. More... | |
double | cp_mass () const |
Specific heat at constant pressure. Units: J/kg/K. More... | |
double | cv_mass () const |
Specific heat at constant volume. Units: J/kg/K. More... | |
virtual void | setState_TPX (double t, double p, const double *x) |
Set the temperature (K), pressure (Pa), and mole fractions. More... | |
virtual void | setState_TPX (double t, double p, const Composition &x) |
Set the temperature (K), pressure (Pa), and mole fractions. More... | |
virtual void | setState_TPX (double t, double p, const string &x) |
Set the temperature (K), pressure (Pa), and mole fractions. More... | |
virtual void | setState_TPY (double t, double p, const double *y) |
Set the internally stored temperature (K), pressure (Pa), and mass fractions of the phase. More... | |
virtual void | setState_TPY (double t, double p, const Composition &y) |
Set the internally stored temperature (K), pressure (Pa), and mass fractions of the phase. More... | |
virtual void | setState_TPY (double t, double p, const string &y) |
Set the internally stored temperature (K), pressure (Pa), and mass fractions of the phase. More... | |
virtual void | setState_TP (double t, double p) |
Set the temperature (K) and pressure (Pa) More... | |
virtual void | setState_HP (double h, double p, double tol=1e-9) |
Set the internally stored specific enthalpy (J/kg) and pressure (Pa) of the phase. More... | |
virtual void | setState_UV (double u, double v, double tol=1e-9) |
Set the specific internal energy (J/kg) and specific volume (m^3/kg). More... | |
virtual void | setState_SP (double s, double p, double tol=1e-9) |
Set the specific entropy (J/kg/K) and pressure (Pa). More... | |
virtual void | setState_SV (double s, double v, double tol=1e-9) |
Set the specific entropy (J/kg/K) and specific volume (m^3/kg). More... | |
virtual void | setState_ST (double s, double t, double tol=1e-9) |
Set the specific entropy (J/kg/K) and temperature (K). More... | |
virtual void | setState_TV (double t, double v, double tol=1e-9) |
Set the temperature (K) and specific volume (m^3/kg). More... | |
virtual void | setState_PV (double p, double v, double tol=1e-9) |
Set the pressure (Pa) and specific volume (m^3/kg). More... | |
virtual void | setState_UP (double u, double p, double tol=1e-9) |
Set the specific internal energy (J/kg) and pressure (Pa). More... | |
virtual void | setState_VH (double v, double h, double tol=1e-9) |
Set the specific volume (m^3/kg) and the specific enthalpy (J/kg) More... | |
virtual void | setState_TH (double t, double h, double tol=1e-9) |
Set the temperature (K) and the specific enthalpy (J/kg) More... | |
virtual void | setState_SH (double s, double h, double tol=1e-9) |
Set the specific entropy (J/kg/K) and the specific enthalpy (J/kg) More... | |
virtual void | setState (const AnyMap &state) |
Set the state using an AnyMap containing any combination of properties supported by the thermodynamic model. More... | |
void | setMixtureFraction (double mixFrac, const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar) |
Set the mixture composition according to the mixture fraction = kg fuel / (kg oxidizer + kg fuel) More... | |
void | setMixtureFraction (double mixFrac, const string &fuelComp, const string &oxComp, ThermoBasis basis=ThermoBasis::molar) |
Set the mixture composition according to the mixture fraction = kg fuel / (kg oxidizer + kg fuel) More... | |
void | setMixtureFraction (double mixFrac, const Composition &fuelComp, const Composition &oxComp, ThermoBasis basis=ThermoBasis::molar) |
Set the mixture composition according to the mixture fraction = kg fuel / (kg oxidizer + kg fuel) More... | |
double | mixtureFraction (const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar, const string &element="Bilger") const |
Compute the mixture fraction = kg fuel / (kg oxidizer + kg fuel) for the current mixture given fuel and oxidizer compositions. More... | |
double | mixtureFraction (const string &fuelComp, const string &oxComp, ThermoBasis basis=ThermoBasis::molar, const string &element="Bilger") const |
Compute the mixture fraction = kg fuel / (kg oxidizer + kg fuel) for the current mixture given fuel and oxidizer compositions. More... | |
double | mixtureFraction (const Composition &fuelComp, const Composition &oxComp, ThermoBasis basis=ThermoBasis::molar, const string &element="Bilger") const |
Compute the mixture fraction = kg fuel / (kg oxidizer + kg fuel) for the current mixture given fuel and oxidizer compositions. More... | |
void | setEquivalenceRatio (double phi, const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar) |
Set the mixture composition according to the equivalence ratio. More... | |
void | setEquivalenceRatio (double phi, const string &fuelComp, const string &oxComp, ThermoBasis basis=ThermoBasis::molar) |
Set the mixture composition according to the equivalence ratio. More... | |
void | setEquivalenceRatio (double phi, const Composition &fuelComp, const Composition &oxComp, ThermoBasis basis=ThermoBasis::molar) |
Set the mixture composition according to the equivalence ratio. More... | |
double | equivalenceRatio (const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar) const |
Compute the equivalence ratio for the current mixture given the compositions of fuel and oxidizer. More... | |
double | equivalenceRatio (const string &fuelComp, const string &oxComp, ThermoBasis basis=ThermoBasis::molar) const |
Compute the equivalence ratio for the current mixture given the compositions of fuel and oxidizer. More... | |
double | equivalenceRatio (const Composition &fuelComp, const Composition &oxComp, ThermoBasis basis=ThermoBasis::molar) const |
Compute the equivalence ratio for the current mixture given the compositions of fuel and oxidizer. More... | |
double | stoichAirFuelRatio (const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar) const |
Compute the stoichiometric air to fuel ratio (kg oxidizer / kg fuel) given fuel and oxidizer compositions. More... | |
double | stoichAirFuelRatio (const string &fuelComp, const string &oxComp, ThermoBasis basis=ThermoBasis::molar) const |
Compute the stoichiometric air to fuel ratio (kg oxidizer / kg fuel) given fuel and oxidizer compositions. More... | |
double | stoichAirFuelRatio (const Composition &fuelComp, const Composition &oxComp, ThermoBasis basis=ThermoBasis::molar) const |
Compute the stoichiometric air to fuel ratio (kg oxidizer / kg fuel) given fuel and oxidizer compositions. More... | |
void | equilibrate (const string &XY, const string &solver="auto", double rtol=1e-9, int max_steps=50000, int max_iter=100, int estimate_equil=0, int log_level=0) |
Equilibrate a ThermoPhase object. More... | |
virtual bool | compatibleWithMultiPhase () const |
Indicates whether this phase type can be used with class MultiPhase for equilibrium calculations. More... | |
virtual double | critTemperature () const |
Critical temperature (K). More... | |
virtual double | critPressure () const |
Critical pressure (Pa). More... | |
virtual double | critVolume () const |
Critical volume (m3/kmol). More... | |
virtual double | critCompressibility () const |
Critical compressibility (unitless). More... | |
virtual double | critDensity () const |
Critical density (kg/m3). More... | |
virtual double | satTemperature (double p) const |
Return the saturation temperature given the pressure. More... | |
virtual double | satPressure (double t) |
Return the saturation pressure given the temperature. More... | |
virtual double | vaporFraction () const |
Return the fraction of vapor at the current conditions. More... | |
virtual void | setState_Tsat (double t, double x) |
Set the state to a saturated system at a particular temperature. More... | |
virtual void | setState_Psat (double p, double x) |
Set the state to a saturated system at a particular pressure. More... | |
void | setState_TPQ (double T, double P, double Q) |
Set the temperature, pressure, and vapor fraction (quality). More... | |
bool | addSpecies (shared_ptr< Species > spec) override |
Add a Species to this Phase. More... | |
void | modifySpecies (size_t k, shared_ptr< Species > spec) override |
Modify the thermodynamic data associated with a species. More... | |
virtual MultiSpeciesThermo & | speciesThermo (int k=-1) |
Return a changeable reference to the calculation manager for species reference-state thermodynamic properties. More... | |
virtual const MultiSpeciesThermo & | speciesThermo (int k=-1) const |
void | initThermoFile (const string &inputFile, const string &id) |
Initialize a ThermoPhase object using an input file. More... | |
AnyMap | parameters (bool withInput=true) const |
Returns the parameters of a ThermoPhase object such that an identical one could be reconstructed using the newThermo(AnyMap&) function. More... | |
virtual void | getSpeciesParameters (const string &name, AnyMap &speciesNode) const |
Get phase-specific parameters of a Species object such that an identical one could be reconstructed and added to this phase. More... | |
const AnyMap & | input () const |
Access input data associated with the phase description. More... | |
AnyMap & | input () |
void | invalidateCache () override |
Invalidate any cached values which are normally updated only when a change in state is detected. More... | |
virtual void | getdlnActCoeffds (const double dTds, const double *const dXds, double *dlnActCoeffds) const |
Get the change in activity coefficients wrt changes in state (temp, mole fraction, etc) along a line in parameter space or along a line in physical space. More... | |
virtual void | getdlnActCoeffdlnX_diag (double *dlnActCoeffdlnX_diag) const |
Get the array of ln mole fraction derivatives of the log activity coefficients - diagonal component only. More... | |
virtual void | getdlnActCoeffdlnN_diag (double *dlnActCoeffdlnN_diag) const |
Get the array of log species mole number derivatives of the log activity coefficients. More... | |
virtual void | getdlnActCoeffdlnN (const size_t ld, double *const dlnActCoeffdlnN) |
Get the array of derivatives of the log activity coefficients with respect to the log of the species mole numbers. More... | |
virtual void | getdlnActCoeffdlnN_numderiv (const size_t ld, double *const dlnActCoeffdlnN) |
virtual string | report (bool show_thermo=true, double threshold=-1e-14) const |
returns a summary of the state of the phase as a string More... | |
Public Member Functions inherited from Phase | |
Phase ()=default | |
Default constructor. More... | |
Phase (const Phase &)=delete | |
Phase & | operator= (const Phase &)=delete |
virtual bool | isPure () const |
Return whether phase represents a pure (single species) substance. More... | |
virtual bool | hasPhaseTransition () const |
Return whether phase represents a substance with phase transitions. More... | |
virtual bool | isCompressible () const |
Return whether phase represents a compressible substance. More... | |
virtual map< string, size_t > | nativeState () const |
Return a map of properties defining the native state of a substance. More... | |
string | nativeMode () const |
Return string acronym representing the native state of a Phase. More... | |
virtual vector< string > | fullStates () const |
Return a vector containing full states defining a phase. More... | |
virtual vector< string > | partialStates () const |
Return a vector of settable partial property sets within a phase. More... | |
virtual size_t | stateSize () const |
Return size of vector defining internal state of the phase. More... | |
void | saveState (vector< double > &state) const |
Save the current internal state of the phase. More... | |
virtual void | saveState (size_t lenstate, double *state) const |
Write to array 'state' the current internal state. More... | |
void | restoreState (const vector< double > &state) |
Restore a state saved on a previous call to saveState. More... | |
virtual void | restoreState (size_t lenstate, const double *state) |
Restore the state of the phase from a previously saved state vector. More... | |
double | molecularWeight (size_t k) const |
Molecular weight of species k . More... | |
void | getMolecularWeights (double *weights) const |
Copy the vector of molecular weights into array weights. More... | |
const vector< double > & | molecularWeights () const |
Return a const reference to the internal vector of molecular weights. More... | |
const vector< double > & | inverseMolecularWeights () const |
Return a const reference to the internal vector of molecular weights. More... | |
void | getCharges (double *charges) const |
Copy the vector of species charges into array charges. More... | |
virtual void | setMolesNoTruncate (const double *const N) |
Set the state of the object with moles in [kmol]. More... | |
double | elementalMassFraction (const size_t m) const |
Elemental mass fraction of element m. More... | |
double | elementalMoleFraction (const size_t m) const |
Elemental mole fraction of element m. More... | |
double | charge (size_t k) const |
Dimensionless electrical charge of a single molecule of species k The charge is normalized by the the magnitude of the electron charge. More... | |
double | chargeDensity () const |
Charge density [C/m^3]. More... | |
size_t | nDim () const |
Returns the number of spatial dimensions (1, 2, or 3) More... | |
void | setNDim (size_t ndim) |
Set the number of spatial dimensions (1, 2, or 3). More... | |
virtual bool | ready () const |
Returns a bool indicating whether the object is ready for use. More... | |
int | stateMFNumber () const |
Return the State Mole Fraction Number. More... | |
bool | caseSensitiveSpecies () const |
Returns true if case sensitive species names are enforced. More... | |
void | setCaseSensitiveSpecies (bool cflag=true) |
Set flag that determines whether case sensitive species are enforced in look-up operations, for example speciesIndex. More... | |
vector< double > | getCompositionFromMap (const Composition &comp) const |
Converts a Composition to a vector with entries for each species Species that are not specified are set to zero in the vector. More... | |
void | massFractionsToMoleFractions (const double *Y, double *X) const |
Converts a mixture composition from mole fractions to mass fractions. More... | |
void | moleFractionsToMassFractions (const double *X, double *Y) const |
Converts a mixture composition from mass fractions to mole fractions. More... | |
string | name () const |
Return the name of the phase. More... | |
void | setName (const string &nm) |
Sets the string name for the phase. More... | |
string | elementName (size_t m) const |
Name of the element with index m. More... | |
size_t | elementIndex (const string &name) const |
Return the index of element named 'name'. More... | |
const vector< string > & | elementNames () const |
Return a read-only reference to the vector of element names. More... | |
double | atomicWeight (size_t m) const |
Atomic weight of element m. More... | |
double | entropyElement298 (size_t m) const |
Entropy of the element in its standard state at 298 K and 1 bar. More... | |
int | atomicNumber (size_t m) const |
Atomic number of element m. More... | |
int | elementType (size_t m) const |
Return the element constraint type Possible types include: More... | |
int | changeElementType (int m, int elem_type) |
Change the element type of the mth constraint Reassigns an element type. More... | |
const vector< double > & | atomicWeights () const |
Return a read-only reference to the vector of atomic weights. More... | |
size_t | nElements () const |
Number of elements. More... | |
void | checkElementIndex (size_t m) const |
Check that the specified element index is in range. More... | |
void | checkElementArraySize (size_t mm) const |
Check that an array size is at least nElements(). More... | |
double | nAtoms (size_t k, size_t m) const |
Number of atoms of element m in species k . More... | |
size_t | speciesIndex (const string &name) const |
Returns the index of a species named 'name' within the Phase object. More... | |
string | speciesName (size_t k) const |
Name of the species with index k. More... | |
const vector< string > & | speciesNames () const |
Return a const reference to the vector of species names. More... | |
size_t | nSpecies () const |
Returns the number of species in the phase. More... | |
void | checkSpeciesIndex (size_t k) const |
Check that the specified species index is in range. More... | |
void | checkSpeciesArraySize (size_t kk) const |
Check that an array size is at least nSpecies(). More... | |
void | setMoleFractionsByName (const Composition &xMap) |
Set the species mole fractions by name. More... | |
void | setMoleFractionsByName (const string &x) |
Set the mole fractions of a group of species by name. More... | |
void | setMassFractionsByName (const Composition &yMap) |
Set the species mass fractions by name. More... | |
void | setMassFractionsByName (const string &x) |
Set the species mass fractions by name. More... | |
void | setState_TD (double t, double rho) |
Set the internally stored temperature (K) and density (kg/m^3) More... | |
Composition | getMoleFractionsByName (double threshold=0.0) const |
Get the mole fractions by name. More... | |
double | moleFraction (size_t k) const |
Return the mole fraction of a single species. More... | |
double | moleFraction (const string &name) const |
Return the mole fraction of a single species. More... | |
Composition | getMassFractionsByName (double threshold=0.0) const |
Get the mass fractions by name. More... | |
double | massFraction (size_t k) const |
Return the mass fraction of a single species. More... | |
double | massFraction (const string &name) const |
Return the mass fraction of a single species. More... | |
void | getMoleFractions (double *const x) const |
Get the species mole fraction vector. More... | |
virtual void | setMoleFractions (const double *const x) |
Set the mole fractions to the specified values. More... | |
virtual void | setMoleFractions_NoNorm (const double *const x) |
Set the mole fractions to the specified values without normalizing. More... | |
void | getMassFractions (double *const y) const |
Get the species mass fractions. More... | |
const double * | massFractions () const |
Return a const pointer to the mass fraction array. More... | |
virtual void | setMassFractions (const double *const y) |
Set the mass fractions to the specified values and normalize them. More... | |
virtual void | setMassFractions_NoNorm (const double *const y) |
Set the mass fractions to the specified values without normalizing. More... | |
virtual void | getConcentrations (double *const c) const |
Get the species concentrations (kmol/m^3). More... | |
virtual double | concentration (const size_t k) const |
Concentration of species k. More... | |
virtual void | setConcentrations (const double *const conc) |
Set the concentrations to the specified values within the phase. More... | |
virtual void | setConcentrationsNoNorm (const double *const conc) |
Set the concentrations without ignoring negative concentrations. More... | |
double | temperature () const |
Temperature (K). More... | |
virtual double | density () const |
Density (kg/m^3). More... | |
virtual double | molarDensity () const |
Molar density (kmol/m^3). More... | |
virtual double | molarVolume () const |
Molar volume (m^3/kmol). More... | |
virtual void | setDensity (const double density_) |
Set the internally stored density (kg/m^3) of the phase. More... | |
virtual void | setTemperature (double temp) |
Set the internally stored temperature of the phase (K). More... | |
double | mean_X (const double *const Q) const |
Evaluate the mole-fraction-weighted mean of an array Q. More... | |
double | mean_X (const vector< double > &Q) const |
Evaluate the mole-fraction-weighted mean of an array Q. More... | |
double | meanMolecularWeight () const |
The mean molecular weight. Units: (kg/kmol) More... | |
double | sum_xlogx () const |
Evaluate \( \sum_k X_k \ln X_k \). More... | |
size_t | addElement (const string &symbol, double weight=-12345.0, int atomicNumber=0, double entropy298=ENTROPY298_UNKNOWN, int elem_type=CT_ELEM_TYPE_ABSPOS) |
Add an element. More... | |
void | addSpeciesAlias (const string &name, const string &alias) |
Add a species alias (that is, a user-defined alternative species name). More... | |
virtual vector< string > | findIsomers (const Composition &compMap) const |
Return a vector with isomers names matching a given composition map. More... | |
virtual vector< string > | findIsomers (const string &comp) const |
Return a vector with isomers names matching a given composition string. More... | |
shared_ptr< Species > | species (const string &name) const |
Return the Species object for the named species. More... | |
shared_ptr< Species > | species (size_t k) const |
Return the Species object for species whose index is k. More... | |
void | ignoreUndefinedElements () |
Set behavior when adding a species containing undefined elements to just skip the species. More... | |
void | addUndefinedElements () |
Set behavior when adding a species containing undefined elements to add those elements to the phase. More... | |
void | throwUndefinedElements () |
Set the behavior when adding a species containing undefined elements to throw an exception. More... | |
Protected Member Functions | |
void | updateThermo () const override |
Update the species reference state thermodynamic functions. More... | |
void | checkElectronEnergyLevels () const |
Check the electron energy levels. More... | |
void | checkElectronEnergyDistribution () const |
Check the electron energy distribution. More... | |
void | updateElectronEnergyDistribution () |
Update electron energy distribution. More... | |
void | setIsotropicElectronEnergyDistribution () |
Set isotropic electron energy distribution. More... | |
void | updateElectronTemperatureFromEnergyDist () |
Update electron temperature (K) From energy distribution. More... | |
void | normalizeElectronEnergyDistribution () |
Electron energy distribution norm. More... | |
Protected Member Functions inherited from Phase | |
void | assertCompressible (const string &setter) const |
Ensure that phase is compressible. More... | |
void | assignDensity (const double density_) |
Set the internally stored constant density (kg/m^3) of the phase. More... | |
void | setMolecularWeight (const int k, const double mw) |
Set the molecular weight of a single species to a given value. More... | |
virtual void | compositionChanged () |
Apply changes to the state which are needed after the composition changes. More... | |
Protected Attributes | |
double | m_isotropicShapeFactor = 2.0 |
size_t | m_nPoints = 1001 |
Number of points of electron energy levels. More... | |
Eigen::ArrayXd | m_electronEnergyLevels |
electron energy levels [ev]. Length: m_nPoints More... | |
Eigen::ArrayXd | m_electronEnergyDist |
Normalized electron energy distribution vector [-] Length: m_nPoints. More... | |
size_t | m_electronSpeciesIndex = npos |
Index of electron species. More... | |
double | m_electronTemp |
Electron temperature [K]. More... | |
string | m_distributionType = "isotropic" |
Electron energy distribution type. More... | |
string | m_quadratureMethod = "simpson" |
Numerical quadrature method for electron energy distribution. More... | |
bool | m_do_normalizeElectronEnergyDist = true |
Flag of normalizing electron energy distribution. More... | |
Protected Attributes inherited from IdealGasPhase | |
double | m_p0 = -1.0 |
Reference state pressure. More... | |
vector< double > | m_h0_RT |
Temporary storage for dimensionless reference state enthalpies. More... | |
vector< double > | m_cp0_R |
Temporary storage for dimensionless reference state heat capacities. More... | |
vector< double > | m_g0_RT |
Temporary storage for dimensionless reference state Gibbs energies. More... | |
vector< double > | m_s0_R |
Temporary storage for dimensionless reference state entropies. More... | |
vector< double > | m_expg0_RT |
vector< double > | m_pp |
Temporary array containing internally calculated partial pressures. More... | |
Protected Attributes inherited from ThermoPhase | |
MultiSpeciesThermo | m_spthermo |
Pointer to the calculation manager for species reference-state thermodynamic properties. More... | |
AnyMap | m_input |
Data supplied via setParameters. More... | |
double | m_phi = 0.0 |
Stored value of the electric potential for this phase. Units are Volts. More... | |
bool | m_chargeNeutralityNecessary = false |
Boolean indicating whether a charge neutrality condition is a necessity. More... | |
int | m_ssConvention = cSS_CONVENTION_TEMPERATURE |
Contains the standard state convention. More... | |
double | m_tlast = 0.0 |
last value of the temperature processed by reference state More... | |
Protected Attributes inherited from Phase | |
ValueCache | m_cache |
Cached for saved calculations within each ThermoPhase. More... | |
size_t | m_kk = 0 |
Number of species in the phase. More... | |
size_t | m_ndim = 3 |
Dimensionality of the phase. More... | |
vector< double > | m_speciesComp |
Atomic composition of the species. More... | |
vector< double > | m_speciesCharge |
Vector of species charges. length m_kk. More... | |
map< string, shared_ptr< Species > > | m_species |
UndefElement::behavior | m_undefinedElementBehavior = UndefElement::add |
Flag determining behavior when adding species with an undefined element. More... | |
bool | m_caseSensitiveSpecies = false |
Flag determining whether case sensitive species names are enforced. More... | |
|
explicit |
Construct and initialize a PlasmaPhase object directly from an input file.
The constructor initializes the electron energy distribution to be Druyvesteyn distribution (m_x = 2.0). The initial electron energy grid is set to a linear space which starts at 0.01 eV and ends at 1 eV with 1000 points.
inputFile | Name of the input file containing the phase definition to set up the object. If blank, an empty phase will be created. |
id | ID of the phase in the input file. Defaults to the empty string. |
Definition at line 14 of file PlasmaPhase.cpp.
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inlineoverridevirtual |
String indicating the thermodynamic model implemented.
Usually corresponds to the name of the derived class, less any suffixes such as "Phase", TP", "VPSS", etc.
Reimplemented from IdealGasPhase.
Definition at line 74 of file PlasmaPhase.h.
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overridevirtual |
Initialize the ThermoPhase object after all species have been set up.
This method is provided to allow subclasses to perform any initialization required after all species have been added. For example, it might be used to resize internal work arrays that must have an entry for each species. The base class implementation does nothing, and subclasses that do not require initialization do not need to overload this method. Derived classes which do override this function should call their parent class's implementation of this function as their last action.
When importing from an AnyMap phase description (or from a YAML file), setupPhase() adds all the species, stores the input data in m_input, and then calls this method to set model parameters from the data stored in m_input.
Reimplemented from ThermoPhase.
Definition at line 235 of file PlasmaPhase.cpp.
void setElectronEnergyLevels | ( | const double * | levels, |
size_t | length | ||
) |
Set electron energy levels.
levels | The vector of electron energy levels (eV). Length: m_nPoints. |
length | The length of the levels . |
Definition at line 84 of file PlasmaPhase.cpp.
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inline |
Get electron energy levels.
levels | The vector of electron energy levels (eV). Length: m_nPoints |
Definition at line 88 of file PlasmaPhase.h.
void setDiscretizedElectronEnergyDist | ( | const double * | levels, |
const double * | distrb, | ||
size_t | length | ||
) |
Set discretized electron energy distribution.
levels | The vector of electron energy levels (eV). Length: m_nPoints. |
distrb | The vector of electron energy distribution. Length: m_nPoints. |
length | The length of the vectors, which equals m_nPoints. |
Definition at line 120 of file PlasmaPhase.cpp.
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inline |
Get electron energy distribution.
distrb | The vector of electron energy distribution. Length: m_nPoints. |
Definition at line 105 of file PlasmaPhase.h.
void setIsotropicShapeFactor | ( | double | x | ) |
Set the shape factor of isotropic electron energy distribution.
Note that \( x = 1 \) and \( x = 2 \) correspond to the Maxwellian and Druyvesteyn distribution, respectively.
x | The shape factor |
Definition at line 147 of file PlasmaPhase.cpp.
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inline |
The shape factor of isotropic electron energy distribution.
Definition at line 116 of file PlasmaPhase.h.
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overridevirtual |
Set the internally stored electron temperature of the phase (K).
Te | Electron temperature in Kelvin |
Reimplemented from Phase.
Definition at line 74 of file PlasmaPhase.cpp.
void setMeanElectronEnergy | ( | double | energy | ) |
Set mean electron energy [eV].
This method also sets electron temperature accordingly.
Definition at line 79 of file PlasmaPhase.cpp.
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inline |
Get electron energy distribution type.
Definition at line 129 of file PlasmaPhase.h.
void setElectronEnergyDistributionType | ( | const string & | type | ) |
Set electron energy distribution type.
Definition at line 47 of file PlasmaPhase.cpp.
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inline |
Numerical quadrature method. Method: m_quadratureMethod.
Definition at line 137 of file PlasmaPhase.h.
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inline |
Set numerical quadrature method for integrating electron energy distribution function.
Method: m_quadratureMethod
Definition at line 143 of file PlasmaPhase.h.
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inline |
Mean electron energy [eV].
Definition at line 148 of file PlasmaPhase.h.
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inline |
Set flag of automatically normalize electron energy distribution Flag: m_do_normalizeElectronEnergyDist.
Definition at line 154 of file PlasmaPhase.h.
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inline |
Flag of automatically normalize electron energy distribution.
Flag: m_do_normalizeElectronEnergyDist
Definition at line 160 of file PlasmaPhase.h.
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overridevirtual |
Returns true
if the species was successfully added, or false
if the species was ignored.
Derived classes which need to size arrays according to the number of species should overload this method. The derived class implementation should call the base class method, and, if this returns true
(indicating that the species has been added), adjust their array sizes accordingly.
Reimplemented from IdealGasPhase.
Definition at line 216 of file PlasmaPhase.cpp.
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inlineoverridevirtual |
Electron Temperature (K)
Reimplemented from Phase.
Definition at line 168 of file PlasmaPhase.h.
|
inline |
Return the Gas Constant multiplied by the current electron temperature.
The units are Joules kmol-1
Definition at line 176 of file PlasmaPhase.h.
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inlinevirtual |
|
inline |
Number of electron levels.
Definition at line 190 of file PlasmaPhase.h.
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inline |
Electron Species Index.
Definition at line 195 of file PlasmaPhase.h.
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overridevirtual |
Return the Molar enthalpy. Units: J/kmol.
For an ideal gas mixture with additional electron,
\[ \hat h(T) = \sum_{k \neq k_e} X_k \hat h^0_k(T) + X_{k_e} \hat h^0_{k_e}(T_e), \]
and is a function only of temperature. The standard-state pure-species enthalpies \( \hat h^0_k(T) \) are computed by the species thermodynamic property manager.
Reimplemented from IdealGasPhase.
Definition at line 265 of file PlasmaPhase.cpp.
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inlineoverridevirtual |
Molar heat capacity at constant pressure.
Units: J/kmol/K. For an ideal gas mixture,
\[ \hat c_p(t) = \sum_k \hat c^0_{p,k}(T). \]
The reference-state pure-species heat capacities \( \hat c^0_{p,k}(T) \) are computed by the species thermodynamic property manager.
Reimplemented from IdealGasPhase.
Definition at line 213 of file PlasmaPhase.h.
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inlineoverridevirtual |
Molar entropy.
Units: J/kmol/K. For an ideal gas mixture,
\[ \hat s(T, P) = \sum_k X_k \hat s^0_k(T) - \hat R \ln \frac{P}{P^0}. \]
The reference-state pure-species entropies \( \hat s^0_k(T) \) are computed by the species thermodynamic property manager.
Reimplemented from IdealGasPhase.
Definition at line 217 of file PlasmaPhase.h.
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inlineoverridevirtual |
Molar Gibbs function. Units: J/kmol.
Reimplemented from ThermoPhase.
Definition at line 221 of file PlasmaPhase.h.
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inlineoverridevirtual |
Molar internal energy. Units: J/kmol.
Reimplemented from ThermoPhase.
Definition at line 225 of file PlasmaPhase.h.
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overridevirtual |
Get the array of nondimensional Entropy functions for the standard state species at the current T and P of the solution.
sr | Output vector of nondimensional standard state entropies. Length: m_kk. |
Reimplemented from IdealGasPhase.
Definition at line 325 of file PlasmaPhase.cpp.
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overridevirtual |
Get the nondimensional Gibbs functions for the species in their standard states at the current T and P of the solution.
grt | Output vector of nondimensional standard state Gibbs free energies. Length: m_kk. |
Reimplemented from IdealGasPhase.
Definition at line 339 of file PlasmaPhase.cpp.
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overridevirtual |
Returns the vector of the Gibbs function of the reference state at the current temperature of the solution and the reference pressure for the species.
g | Output vector containing the reference state Gibbs Free energies. Length: m_kk. Units: J/kmol. |
Reimplemented from IdealGasPhase.
Definition at line 273 of file PlasmaPhase.cpp.
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overridevirtual |
Get the molar volumes of the species reference states at the current T and P_ref of the solution.
units = m^3 / kmol
vol | Output vector containing the standard state volumes. Length: m_kk. |
Reimplemented from IdealGasPhase.
Definition at line 279 of file PlasmaPhase.cpp.
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overridevirtual |
Get the species chemical potentials. Units: J/kmol.
This function returns a vector of chemical potentials of the species in solution at the current temperature, pressure and mole fraction of the solution.
mu | Output vector of species chemical potentials. Length: m_kk. Units: J/kmol |
Reimplemented from IdealGasPhase.
Definition at line 309 of file PlasmaPhase.cpp.
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overridevirtual |
Get the array of chemical potentials at unit activity for the species at their standard states at the current T and P of the solution.
These are the standard state chemical potentials \( \mu^0_k(T,P) \). The values are evaluated at the current temperature and pressure of the solution
mu | Output vector of chemical potentials. Length: m_kk. |
Reimplemented from IdealGasPhase.
Definition at line 317 of file PlasmaPhase.cpp.
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overridevirtual |
Returns an array of partial molar enthalpies for the species in the mixture.
Units (J/kmol)
hbar | Output vector of species partial molar enthalpies. Length: m_kk. units are J/kmol. |
Reimplemented from IdealGasPhase.
Definition at line 285 of file PlasmaPhase.cpp.
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overridevirtual |
Returns an array of partial molar entropies of the species in the solution.
Units: J/kmol/K.
sbar | Output vector of species partial molar entropies. Length = m_kk. units are J/kmol/K. |
Reimplemented from IdealGasPhase.
Definition at line 291 of file PlasmaPhase.cpp.
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overridevirtual |
Return an array of partial molar internal energies for the species in the mixture.
Units: J/kmol.
ubar | Output vector of species partial molar internal energies. Length = m_kk. units are J/kmol. |
Reimplemented from IdealGasPhase.
Definition at line 299 of file PlasmaPhase.cpp.
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overridevirtual |
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using the newThermo(AnyMap&) function.
This does not include user-defined fields available in input().
Reimplemented from ThermoPhase.
Definition at line 152 of file PlasmaPhase.cpp.
Set equation of state parameters from an AnyMap phase description.
Phases that need additional parameters from the root node should override this method.
Reimplemented from ThermoPhase.
Definition at line 172 of file PlasmaPhase.cpp.
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overrideprotectedvirtual |
Update the species reference state thermodynamic functions.
This method is called each time a thermodynamic property is requested, to check whether the internal species properties within the object need to be updated. Currently, this updates the species thermo polynomial values for the current value of the temperature. A check is made to see if the temperature has changed since the last evaluation. This object does not contain any persistent data that depends on the concentration, that needs to be updated. The state object modifies its concentration dependent information at the time the setMoleFractions() (or equivalent) call is made.
Reimplemented from IdealGasPhase.
Definition at line 245 of file PlasmaPhase.cpp.
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protected |
Check the electron energy levels.
The values of electron energy levels need to be positive and monotonically increasing.
Definition at line 92 of file PlasmaPhase.cpp.
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protected |
Check the electron energy distribution.
This method check the electron energy distribution for the criteria below.
Definition at line 103 of file PlasmaPhase.cpp.
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protected |
Update electron energy distribution.
Definition at line 25 of file PlasmaPhase.cpp.
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protected |
Set isotropic electron energy distribution.
Definition at line 58 of file PlasmaPhase.cpp.
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protected |
Update electron temperature (K) From energy distribution.
Definition at line 138 of file PlasmaPhase.cpp.
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protected |
Electron energy distribution norm.
Definition at line 35 of file PlasmaPhase.cpp.
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protected |
Number of points of electron energy levels.
Definition at line 292 of file PlasmaPhase.h.
|
protected |
electron energy levels [ev]. Length: m_nPoints
Definition at line 295 of file PlasmaPhase.h.
|
protected |
Normalized electron energy distribution vector [-] Length: m_nPoints.
Definition at line 299 of file PlasmaPhase.h.
|
protected |
Index of electron species.
Definition at line 302 of file PlasmaPhase.h.
|
protected |
Electron temperature [K].
Definition at line 305 of file PlasmaPhase.h.
|
protected |
Electron energy distribution type.
Definition at line 308 of file PlasmaPhase.h.
|
protected |
Numerical quadrature method for electron energy distribution.
Definition at line 311 of file PlasmaPhase.h.
|
protected |
Flag of normalizing electron energy distribution.
Definition at line 314 of file PlasmaPhase.h.