24 m_speciesMolarVolume(0),
41 return RT() *
mean_X(enthalpy_RT_ref()) +
85 for (
size_t k = 0; k <
m_kk; k++) {
104 for (
size_t k = 0; k <
m_kk; k++) {
106 mu[k] =
RT() * (g_RT[k] + log(xx))
114 scale(_h.begin(), _h.end(), hbar,
RT());
120 for (
size_t k = 0; k <
m_kk; k++) {
129 for (
size_t k = 0; k <
m_kk; k++) {
142 scale(gibbsrt.begin(), gibbsrt.end(), mu0,
RT());
149 for (
size_t k = 0; k <
m_kk; k++) {
158 for (
size_t k = 0; k <
m_kk; k++) {
166 std::copy(_s.begin(), _s.end(), sr);
173 for (
size_t k = 0; k <
m_kk; k++) {
181 for (
size_t k = 0; k <
m_kk; k++) {
189 std::copy(_cpr.begin(), _cpr.end(), cpr);
197 const vector_fp& LatticePhase::enthalpy_RT_ref()
const 212 for (
size_t k = 0; k <
m_kk; k++) {
240 if (spec->extra.hasKey(
"molar_volume")) {
260 for (
size_t k = 0; k <
m_kk; k++) {
270 "To be removed after Cantera 2.4.");
278 "To be removed after Cantera 2.4.");
285 eosdata.
_require(
"model",
"Lattice");
const vector_fp & entropy_R_ref() const
Returns a reference to the dimensionless reference state Entropy vector.
virtual doublereal pressure() const
In this equation of state implementation, the density is a function only of the mole fractions...
virtual bool addSpecies(shared_ptr< Species > spec)
doublereal m_site_density
Site Density of the lattice solid.
CTML ("Cantera Markup Language") is the variant of XML that Cantera uses to store data...
MultiSpeciesThermo m_spthermo
Pointer to the calculation manager for species reference-state thermodynamic properties.
virtual void getEntropy_R(doublereal *sr) const
Get the array of nondimensional Entropy functions for the species standard states at the current T an...
doublereal m_Pref
Reference state pressure.
const doublereal OneAtm
One atmosphere [Pa].
virtual doublereal cp_mole() const
Molar heat capacity at constant pressure of the solution.
doublereal temperature() const
Temperature (K).
Various templated functions that carry out common vector operations (see Templated Utility Functions)...
virtual doublereal standardConcentration(size_t k=0) const
Return the standard concentration for the kth species.
virtual void update(doublereal T, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
Compute the reference-state properties for all species.
doublereal calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input...
vector_fp m_g0_RT
Temporary storage for the reference state Gibbs energies.
doublereal moleFraction(size_t k) const
Return the mole fraction of a single species.
vector_fp m_s0_R
Temporary storage for the reference state entropies at the current temperature.
virtual void getPartialMolarCp(doublereal *cpbar) const
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
virtual doublereal logStandardConc(size_t k=0) const
Natural logarithm of the standard concentration of the kth species.
doublereal sum_xlogx() const
Evaluate .
vector_fp m_h0_RT
Reference state enthalpies / RT.
Headers for the factory class that can create known ThermoPhase objects (see Thermodynamic Properties...
virtual void getParameters(int &n, doublereal *const c) const
Get the equation of state parameters in a vector.
Class XML_Node is a tree-based representation of the contents of an XML file.
virtual void getPureGibbs(doublereal *gpure) const
Get the Gibbs functions for the standard state of the species at the current T and P of the solution...
virtual void setParameters(int n, doublereal *const c)
Set the equation of state parameters from the argument list.
void warn_deprecated(const std::string &method, const std::string &extra)
Print a warning indicating that method is deprecated.
virtual void getStandardVolumes(doublereal *vol) const
Get the molar volumes of the species standard states at the current T and P of the solution...
virtual void setPressure(doublereal p)
Set the internally stored pressure (Pa) at constant temperature and composition.
virtual doublereal cv_mole() const
Molar heat capacity at constant volume of the solution.
virtual void setParametersFromXML(const XML_Node &eosdata)
Set equation of state parameter values from XML entries.
doublereal m_tlast
last value of the temperature processed by reference state
const vector_fp & cp_R_ref() const
Returns a reference to the dimensionless reference state Heat Capacity vector.
doublereal mean_X(const doublereal *const Q) const
Evaluate the mole-fraction-weighted mean of an array Q.
doublereal RT() const
Return the Gas Constant multiplied by the current temperature.
virtual void getGibbs_ref(doublereal *g) const
Returns the vector of the Gibbs function of the reference state at the current temperature of the sol...
virtual void getCp_R(doublereal *cpr) const
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
virtual void getPartialMolarVolumes(doublereal *vbar) const
Return an array of partial molar volumes for the species in the mixture.
void _require(const std::string &a, const std::string &v) const
Require that the current XML node have an attribute named by the first argument, a, and that this attribute have the the string value listed in the second argument, v.
virtual doublereal enthalpy_mole() const
Return the Molar Enthalpy. Units: J/kmol.
doublereal molarDensity() const
Molar density (kmol/m^3).
void setSiteDensity(double sitedens)
Set the density of lattice sites [kmol/m^3].
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
virtual void getPartialMolarEntropies(doublereal *sbar) const
Returns an array of partial molar entropies of the species in the solution.
virtual void getActivityCoefficients(doublereal *ac) const
Get the array of non-dimensional activity coefficients at the current solution temperature, pressure, and solution concentration.
doublereal m_Pcurrent
The current pressure.
void _updateThermo() const
Update the species reference state thermodynamic functions.
vector_fp m_cp0_R
Temporary storage for the reference state heat capacities.
virtual void getGibbs_RT(doublereal *grt) const
Get the nondimensional Gibbs functions for the species standard states at the current T and P of the ...
virtual void getActivityConcentrations(doublereal *c) const
The activity of a species in solution is related to the chemical potential by The quantity is the ...
virtual void getEnthalpy_RT(doublereal *hrt) const
Get the nondimensional Enthalpy functions for the species standard states at their standard states at...
void getMoleFractions(doublereal *const x) const
Get the species mole fraction vector.
virtual void setMolarDensity(const doublereal molarDensity)
Set the internally stored molar density (kmol/m^3) of the phase.
void importPhase(XML_Node &phase, ThermoPhase *th)
Import a phase information into an empty ThermoPhase object.
virtual void getGibbs_RT_ref(doublereal *grt) const
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials. Units: J/kmol.
const doublereal SmallNumber
smallest number to compare to zero.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
doublereal meanMolecularWeight() const
The mean molecular weight. Units: (kg/kmol)
void scale(InputIter begin, InputIter end, OutputIter out, S scale_factor)
Multiply elements of an array by a scale factor.
virtual doublereal refPressure() const
Returns the reference pressure in Pa.
vector_fp m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
const doublereal GasConstant
Universal Gas Constant. [J/kmol/K].
Contains declarations for string manipulation functions within Cantera.
doublereal getFloat(const XML_Node &parent, const std::string &name, const std::string &type)
Get a floating-point value from a child element.
virtual bool addSpecies(shared_ptr< Species > spec)
virtual doublereal entropy_mole() const
Molar entropy of the solution. Units: J/kmol/K.
size_t m_kk
Number of species in the phase.
const vector_fp & gibbs_RT_ref() const
Returns a reference to the dimensionless reference state Gibbs free energy vector.
virtual void initThermoFile(const std::string &inputFile, const std::string &id)
Namespace for the Cantera kernel.
Header for a simple thermodynamics model of a bulk phase derived from ThermoPhase, assuming a lattice of solid atoms (see Thermodynamic Properties and class LatticePhase).
virtual void getStandardChemPotentials(doublereal *mu) const
Get the array of chemical potentials at unit activity for the species at their standard states at the...
LatticePhase()
Base Empty constructor.
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
virtual void getPartialMolarEnthalpies(doublereal *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.