10 BulkKinetics::BulkKinetics(
thermo_t* thermo) :
62 for (
size_t k = 0; k <
m_kk; k++) {
75 for (
size_t k = 0; k <
m_kk; k++) {
108 for (
const auto& sp : r->products) {
111 for (
const auto& sp : r->reactants) {
130 void BulkKinetics::modifyElementaryReaction(
size_t i, ElementaryReaction& rNew)
132 m_rates.replace(i, rNew.rate);
147 void BulkKinetics::invalidateCache()
149 Kinetics::invalidateCache();
A reaction which follows mass-action kinetics with a modified Arrhenius reaction rate.
virtual void setMultiplier(size_t i, double f)
Set the multiplier for reaction i to f.
virtual void getDeltaSSEnthalpy(doublereal *deltaH)
Return the vector of values for the change in the standard state enthalpies of reaction.
virtual void getDeltaSSGibbs(doublereal *deltaG)
Return the vector of values for the reaction standard state Gibbs free energy change.
thermo_t & thermo(size_t n=0)
This method returns a reference to the nth ThermoPhase object defined in this kinetics mechanism...
virtual void getPartialMolarEntropies(doublereal *sbar) const
Returns an array of partial molar entropies of the species in the solution.
size_t m_kk
The number of species in all of the phases that participate in this kinetics mechanism.
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials. Units: J/kmol.
virtual void resizeSpecies()
Resize arrays with sizes that depend on the total number of species.
virtual bool addReaction(shared_ptr< Reaction > r)
Add a single reaction to the mechanism.
virtual void getFwdRateConstants(doublereal *kfwd)
Return the forward rate constants.
virtual void getDeltaSSEntropy(doublereal *deltaS)
Return the vector of values for the change in the standard state entropies for each reaction...
vector_fp m_ropnet
Net rate-of-progress for each reaction.
virtual void getEquilibriumConstants(doublereal *kc)
Return a vector of Equilibrium constants.
doublereal RT() const
Return the Gas Constant multiplied by the current temperature.
ThermoPhase thermo_t
typedef for the ThermoPhase class
virtual void getEnthalpy_RT(doublereal *hrt) const
Get the nondimensional Enthalpy functions for the species at their standard states at the current T a...
std::vector< size_t > m_irrev
Indices of irreversible reactions.
virtual bool addReaction(shared_ptr< Reaction > r)
Add a single reaction to the mechanism.
virtual bool isReversible(size_t i)
True if reaction i has been declared to be reversible.
virtual void getRevRateConstants(doublereal *krev, bool doIrreversible=false)
Return the reverse rate constants.
std::vector< size_t > m_revindex
Indices of reversible reactions.
size_t nReactions() const
Number of reactions in the reaction mechanism.
virtual void getPartialMolarEnthalpies(doublereal *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.
virtual void getDeltaEntropy(doublereal *deltaS)
Return the vector of values for the reactions change in entropy.
virtual void resizeSpecies()
Resize arrays with sizes that depend on the total number of species.
vector_fp m_rkcn
Reciprocal of the equilibrium constant in concentration units.
virtual void getDeltaGibbs(doublereal *deltaG)
Return the vector of values for the reaction Gibbs free energy change.
vector_fp m_dn
Difference between the global reactants order and the global products order.
const doublereal GasConstant
Universal Gas Constant. [J/kmol/K].
virtual void getStandardChemPotentials(doublereal *mu) const
Get the array of chemical potentials at unit activity for the species at their standard states at the...
virtual void getEntropy_R(doublereal *sr) const
Get the array of nondimensional Entropy functions for the standard state species at the current T and...
virtual void setMultiplier(size_t i, doublereal f)
Set the multiplier for reaction i to f.
Namespace for the Cantera kernel.
virtual void getDeltaEnthalpy(doublereal *deltaH)
Return the vector of values for the reactions change in enthalpy.
virtual void getReactionDelta(const doublereal *property, doublereal *deltaProperty)
Change in species properties.