# Chemical Kinetics

(jl-function-n-reactions)=
::::{describe} n_reactions(g::Union{Solution, Kinetics})
Number of reactions in the mechanism.
::::

(jl-function-n-total-species)=
::::{describe} n_total_species(g::Union{Solution, Kinetics})
Total number of species across all phases in the Kinetics manager.
::::

(jl-function-reaction-equation)=
::::{describe} reaction_equation(g::Union{Solution, Kinetics}, i::Integer)
Reaction equation string for reaction `i` (1-based).
::::

(jl-function-reaction-equations)=
::::{describe} reaction_equations(g::Union{Solution, Kinetics})
Vector of all reaction equation strings.
::::

(jl-function-is-reversible)=
::::{describe} is_reversible(g::Union{Solution, Kinetics}, i::Integer)
Whether reaction `i` (1-based) is reversible.
::::

(jl-function-delta-entropy)=
::::{describe} delta_entropy(g::Union{Solution, Kinetics})
Entropy change for each reaction [J/kmol/K].
::::

(jl-function-forward-rates-of-progress)=
::::{describe} forward_rates_of_progress(g::Union{Solution, Kinetics})
Forward rates of progress for all reactions [kmol/m^3/s].
::::

(jl-function-forward-rate-constants)=
::::{describe} forward_rate_constants(g::Union{Solution, Kinetics})
Forward rate constants for all reactions.
::::

(jl-function-delta-enthalpy)=
::::{describe} delta_enthalpy(g::Union{Solution, Kinetics})
Enthalpy change for each reaction [J/kmol].
::::

(jl-function-reverse-rates-of-progress)=
::::{describe} reverse_rates_of_progress(g::Union{Solution, Kinetics})
Reverse rates of progress for all reactions [kmol/m^3/s].
::::

(jl-function-net-rates-of-progress)=
::::{describe} net_rates_of_progress(g::Union{Solution, Kinetics})
Net rates of progress for all reactions [kmol/m^3/s].
::::

(jl-function-delta-gibbs)=
::::{describe} delta_gibbs(g::Union{Solution, Kinetics})
Gibbs free energy change for each reaction [J/kmol].
::::

(jl-function-equilibrium-constants)=
::::{describe} equilibrium_constants(g::Union{Solution, Kinetics})
Equilibrium constants for all reactions, in concentration units.
::::

(jl-function-net-rates-of-progress-bang)=
::::{describe} net_rates_of_progress!(out, g::Union{Solution, Kinetics})
In-place [`net_rates_of_progress`](#jl-function-net-rates-of-progress).
::::

(jl-function-forward-rate-constants-bang)=
::::{describe} forward_rate_constants!(out, g::Union{Solution, Kinetics})
In-place [`forward_rate_constants`](#jl-function-forward-rate-constants).
::::

(jl-function-equilibrium-constants-bang)=
::::{describe} equilibrium_constants!(out, g::Union{Solution, Kinetics})
In-place [`equilibrium_constants`](#jl-function-equilibrium-constants).
::::

(jl-function-reverse-rates-of-progress-bang)=
::::{describe} reverse_rates_of_progress!(out, g::Union{Solution, Kinetics})
In-place [`reverse_rates_of_progress`](#jl-function-reverse-rates-of-progress).
::::

(jl-function-forward-rates-of-progress-bang)=
::::{describe} forward_rates_of_progress!(out, g::Union{Solution, Kinetics})
In-place [`forward_rates_of_progress`](#jl-function-forward-rates-of-progress).
::::

(jl-function-reverse-rate-constants)=
::::{describe} reverse_rate_constants(gas; do_irreversible=false)
Reverse rate constants for all reactions.
::::

(jl-function-net-production-rates)=
::::{describe} net_production_rates(g::Union{Solution, Kinetics})
Net production rates for all species [kmol/m^3/s].
::::

(jl-function-destruction-rates)=
::::{describe} destruction_rates(g::Union{Solution, Kinetics})
Destruction rates for all species [kmol/m^3/s].
::::

(jl-function-creation-rates)=
::::{describe} creation_rates(g::Union{Solution, Kinetics})
Creation rates for all species [kmol/m^3/s].
::::

(jl-function-destruction-rates-bang)=
::::{describe} destruction_rates!(out, g::Union{Solution, Kinetics})
In-place [`destruction_rates`](#jl-function-destruction-rates).
::::

(jl-function-net-production-rates-bang)=
::::{describe} net_production_rates!(out, g::Union{Solution, Kinetics})
In-place [`net_production_rates`](#jl-function-net-production-rates).
::::

(jl-function-creation-rates-bang)=
::::{describe} creation_rates!(out, g::Union{Solution, Kinetics})
In-place [`creation_rates`](#jl-function-creation-rates).
::::

(jl-function-creation-rates-ddp)=
::::{describe} creation_rates_ddP(g::Union{Solution, Kinetics})
Derivative of the creation rates with respect to pressure.
::::

(jl-function-net-rates-of-progress-ddc)=
::::{describe} net_rates_of_progress_ddC(g::Union{Solution, Kinetics})
Derivative of the net rates of progress with respect to molar concentration.
::::

(jl-function-destruction-rates-ddp)=
::::{describe} destruction_rates_ddP(g::Union{Solution, Kinetics})
Derivative of the destruction rates with respect to pressure.
::::

(jl-function-creation-rates-ddc)=
::::{describe} creation_rates_ddC(g::Union{Solution, Kinetics})
Derivative of the creation rates with respect to molar concentration.
::::

(jl-function-creation-rates-ddt)=
::::{describe} creation_rates_ddT(g::Union{Solution, Kinetics})
Derivative of the creation rates with respect to temperature.
::::

(jl-function-net-production-rates-ddt)=
::::{describe} net_production_rates_ddT(g::Union{Solution, Kinetics})
Derivative of the net production rates with respect to temperature.
::::

(jl-function-net-production-rates-ddp)=
::::{describe} net_production_rates_ddP(g::Union{Solution, Kinetics})
Derivative of the net production rates with respect to pressure.
::::

(jl-function-destruction-rates-ddt)=
::::{describe} destruction_rates_ddT(g::Union{Solution, Kinetics})
Derivative of the destruction rates with respect to temperature.
::::

(jl-function-net-rates-of-progress-ddp)=
::::{describe} net_rates_of_progress_ddP(g::Union{Solution, Kinetics})
Derivative of the net rates of progress with respect to pressure.
::::

(jl-function-net-rates-of-progress-ddt)=
::::{describe} net_rates_of_progress_ddT(g::Union{Solution, Kinetics})
Derivative of the net rates of progress with respect to temperature.
::::

(jl-function-destruction-rates-ddc)=
::::{describe} destruction_rates_ddC(g::Union{Solution, Kinetics})
Derivative of the destruction rates with respect to molar concentration.
::::

(jl-function-net-production-rates-ddc)=
::::{describe} net_production_rates_ddC(g::Union{Solution, Kinetics})
Derivative of the net production rates with respect to molar concentration.
::::

(jl-function-net-rates-of-progress-ddt-bang)=
::::{describe} net_rates_of_progress_ddT!(out, g::Union{Solution, Kinetics})
In-place [`net_rates_of_progress_ddT`](#jl-function-net-rates-of-progress-ddt).
::::

(jl-function-creation-rates-ddc-bang)=
::::{describe} creation_rates_ddC!(out, g::Union{Solution, Kinetics})
In-place [`creation_rates_ddC`](#jl-function-creation-rates-ddc).
::::

(jl-function-net-production-rates-ddt-bang)=
::::{describe} net_production_rates_ddT!(out, g::Union{Solution, Kinetics})
In-place [`net_production_rates_ddT`](#jl-function-net-production-rates-ddt).
::::

(jl-function-destruction-rates-ddt-bang)=
::::{describe} destruction_rates_ddT!(out, g::Union{Solution, Kinetics})
In-place [`destruction_rates_ddT`](#jl-function-destruction-rates-ddt).
::::

(jl-function-net-rates-of-progress-ddp-bang)=
::::{describe} net_rates_of_progress_ddP!(out, g::Union{Solution, Kinetics})
In-place [`net_rates_of_progress_ddP`](#jl-function-net-rates-of-progress-ddp).
::::

(jl-function-creation-rates-ddp-bang)=
::::{describe} creation_rates_ddP!(out, g::Union{Solution, Kinetics})
In-place [`creation_rates_ddP`](#jl-function-creation-rates-ddp).
::::

(jl-function-destruction-rates-ddp-bang)=
::::{describe} destruction_rates_ddP!(out, g::Union{Solution, Kinetics})
In-place [`destruction_rates_ddP`](#jl-function-destruction-rates-ddp).
::::

(jl-function-net-production-rates-ddc-bang)=
::::{describe} net_production_rates_ddC!(out, g::Union{Solution, Kinetics})
In-place [`net_production_rates_ddC`](#jl-function-net-production-rates-ddc).
::::

(jl-function-destruction-rates-ddc-bang)=
::::{describe} destruction_rates_ddC!(out, g::Union{Solution, Kinetics})
In-place [`destruction_rates_ddC`](#jl-function-destruction-rates-ddc).
::::

(jl-function-net-production-rates-ddp-bang)=
::::{describe} net_production_rates_ddP!(out, g::Union{Solution, Kinetics})
In-place [`net_production_rates_ddP`](#jl-function-net-production-rates-ddp).
::::

(jl-function-net-rates-of-progress-ddc-bang)=
::::{describe} net_rates_of_progress_ddC!(out, g::Union{Solution, Kinetics})
In-place [`net_rates_of_progress_ddC`](#jl-function-net-rates-of-progress-ddc).
::::

(jl-function-creation-rates-ddt-bang)=
::::{describe} creation_rates_ddT!(out, g::Union{Solution, Kinetics})
In-place [`creation_rates_ddT`](#jl-function-creation-rates-ddt).
::::

(jl-function-net-production-rates-ddx)=
::::{describe} net_production_rates_ddX(gas) -> Matrix{Float64}
Dense composition Jacobian d(wdot_k)/dX_j of the net production rates with
respect to species mole fractions, size nSpecies x nSpecies.
::::

(jl-function-net-rates-of-progress-ddx)=
::::{describe} net_rates_of_progress_ddX(gas) -> Matrix{Float64}
Dense composition Jacobian d(q_i)/dX_j of the net rates of progress, size
nReactions x nSpecies.
::::

(jl-function-heat-release-rate)=
::::{describe} heat_release_rate(gas) -> Float64
Volumetric heat release rate [W/m^3], `-Σ_k h_k · ẇ_k`, where `h_k` are the
partial molar enthalpies and `ẇ_k` the net production rates.  Matches Python's
`gas.heat_release_rate` (the CLib exposes no direct getter).
::::

(jl-function-reactant-stoich-coeff)=
::::{describe} reactant_stoich_coeff(g::Union{Solution, Kinetics}, k::Integer, i::Integer)
Stoichiometric coefficient of reactant species `k` (1-based) in reaction `i`
(1-based).
::::

(jl-function-product-stoich-coeff)=
::::{describe} product_stoich_coeff(g::Union{Solution, Kinetics}, k::Integer, i::Integer)
Stoichiometric coefficient of product species `k` (1-based) in reaction `i`
(1-based).
::::

(jl-function-reactant-stoich-coeffs)=
::::{describe} reactant_stoich_coeffs(g::Union{Solution, Kinetics})
`nSpecies × nReactions` matrix of reactant stoichiometric coefficients.
::::

(jl-function-product-stoich-coeffs)=
::::{describe} product_stoich_coeffs(g::Union{Solution, Kinetics})
`nSpecies × nReactions` matrix of product stoichiometric coefficients.
::::

(jl-function-multiplier)=
::::{describe} multiplier(g::Union{Solution, Kinetics}, i::Integer)
Rate multiplier for reaction `i` (1-based).
::::

(jl-function-set-multiplier-bang)=
::::{describe} set_multiplier!(g::Union{Solution, Kinetics}, i::Integer, v)
Set the rate multiplier for reaction `i` (1-based).
::::

(jl-function-delta-standard-enthalpy)=
::::{describe} delta_standard_enthalpy(g::Union{Solution, Kinetics})
Standard-state enthalpy change for each reaction [J/kmol].
::::

(jl-function-delta-standard-gibbs)=
::::{describe} delta_standard_gibbs(g::Union{Solution, Kinetics})
Standard-state Gibbs free energy change for each reaction [J/kmol].
::::

(jl-function-delta-standard-entropy)=
::::{describe} delta_standard_entropy(g::Union{Solution, Kinetics})
Standard-state entropy change for each reaction [J/kmol/K].
::::

(jl-function-forward-rates-of-progress-ddt)=
::::{describe} forward_rates_of_progress_ddT(g::Union{Solution, Kinetics})
Derivative of the forward rates of progress with respect to temperature.
::::

(jl-function-forward-rates-of-progress-ddp)=
::::{describe} forward_rates_of_progress_ddP(g::Union{Solution, Kinetics})
Derivative of the forward rates of progress with respect to pressure.
::::

(jl-function-reverse-rates-of-progress-ddc)=
::::{describe} reverse_rates_of_progress_ddC(g::Union{Solution, Kinetics})
Derivative of the reverse rates of progress with respect to molar concentration.
::::

(jl-function-reverse-rates-of-progress-ddp)=
::::{describe} reverse_rates_of_progress_ddP(g::Union{Solution, Kinetics})
Derivative of the reverse rates of progress with respect to pressure.
::::

(jl-function-forward-rates-of-progress-ddc)=
::::{describe} forward_rates_of_progress_ddC(g::Union{Solution, Kinetics})
Derivative of the forward rates of progress with respect to molar concentration.
::::

(jl-function-reverse-rates-of-progress-ddt)=
::::{describe} reverse_rates_of_progress_ddT(g::Union{Solution, Kinetics})
Derivative of the reverse rates of progress with respect to temperature.
::::

(jl-function-heat-production-rates)=
::::{describe} heat_production_rates(gas) -> Vector{Float64}
Per-reaction volumetric heat production rates [W/m^3], `-q_i · Δh_i` (net rate
of progress times reaction enthalpy).  Their sum equals [`heat_release_rate`](#jl-function-heat-release-rate).
::::

(jl-type-reaction)=
::::{describe} Reaction
Wrapper around a Cantera `Reaction` CLib handle.
::::

(jl-function-reaction)=
::::{describe} reaction(gas, i) -> Reaction
Return reaction `i` (1-based) from a Kinetics manager as a [`Reaction`](#jl-type-reaction).
::::

(jl-function-equation)=
::::{describe} equation(r::Reaction)
Reaction equation string.
::::

(jl-function-reaction-type)=
::::{describe} reaction_type(r::Reaction)
Reaction type string (e.g. `"reaction"`, `"three-body"`).
::::

(jl-function-uses-third-body)=
::::{describe} uses_third_body(r::Reaction)
Whether the reaction involves a third body.
::::