A gas-phase reaction: elementary, three-body or falloff (Lindemann, Troe, SRI), reversible (reverse rate from the equilibrium constant) or not, with optional non-integer orders. More...

#include <mechanism.h>

Public Attributes
std::string	equation

ReactionType	type = ReactionType::ELEMENTARY

std::vector< std::pair< uint32_t, double > >	reactants

std::vector< std::pair< uint32_t, double > >	products

std::vector< std::pair< uint32_t, double > >	orders

bool	reversible = true

bool	duplicate = false

Arrhenius	rate

Arrhenius	low

FalloffType	falloff = FalloffType::LINDEMANN

std::array< double, 5 >	falloff_params = {}

std::vector< std::pair< uint32_t, double > >	efficiencies

double	default_efficiency = 1.0

std::vector< std::pair< double, Arrhenius > >	plog

std::array< double, 4 >	chebyshev_range = {}

uint32_t	chebyshev_n_T = 0

uint32_t	chebyshev_n_p = 0

std::vector< double >	chebyshev

Detailed Description

A gas-phase reaction: elementary, three-body or falloff (Lindemann, Troe, SRI), reversible (reverse rate from the equilibrium constant) or not, with optional non-integer orders.

Member Data Documentation

◆ chebyshev

std::vector<double> chemistry::Reaction::chebyshev

◆ chebyshev_n_p

uint32_t chemistry::Reaction::chebyshev_n_p = 0

◆ chebyshev_n_T

uint32_t chemistry::Reaction::chebyshev_n_T = 0

◆ chebyshev_range

std::array<double, 4> chemistry::Reaction::chebyshev_range = {}

◆ default_efficiency

double chemistry::Reaction::default_efficiency = 1.0

◆ duplicate

bool chemistry::Reaction::duplicate = false

◆ efficiencies

std::vector<std::pair<uint32_t, double> > chemistry::Reaction::efficiencies

◆ equation

std::string chemistry::Reaction::equation

◆ falloff

FalloffType chemistry::Reaction::falloff = FalloffType::LINDEMANN

◆ falloff_params

std::array<double, 5> chemistry::Reaction::falloff_params = {}

◆ low

Arrhenius chemistry::Reaction::low

◆ orders

std::vector<std::pair<uint32_t, double> > chemistry::Reaction::orders

◆ plog

std::vector<std::pair<double, Arrhenius> > chemistry::Reaction::plog

◆ products

std::vector<std::pair<uint32_t, double> > chemistry::Reaction::products

◆ rate

Arrhenius chemistry::Reaction::rate

◆ reactants

std::vector<std::pair<uint32_t, double> > chemistry::Reaction::reactants

◆ reversible

bool chemistry::Reaction::reversible = true

◆ type

ReactionType chemistry::Reaction::type = ReactionType::ELEMENTARY

The documentation for this struct was generated from the following file:

/home/runner/work/mallard/mallard/mallard/src/chemistry/mechanism.h

Public Attributes