Gas-phase mechanisms read from Cantera YAML files. More...

#include <array>
#include <cstdint>
#include <string>
#include <utility>
#include <vector>

Classes
struct	chemistry::SpeciesThermo
	Species thermodynamics as piecewise polynomials in NASA-9 form, one per temperature range: cp/R = a0/T^2 + a1/T + a2 + a3 T + a4 T^2 + a5 T^3 + a6 T^4, h/(RT) = -a0/T^2 + a1 ln(T)/T + a2 + a3 T/2 + a4 T^2/3 + a5 T^3/4 + a6 T^4/5 + a7/T, s/R = -a0/(2 T^2) - a1/T + a2 ln(T) + a3 T + a4 T^2/2 + a5 T^3/3 + a6 T^4/4 + a8. More...

struct	chemistry::SpeciesTransport
	Gas transport data of a species (Cantera's "gas" transport model), in SI units. More...

struct	chemistry::Species

struct	chemistry::Arrhenius
	Modified Arrhenius rate k = A T^b exp(-Ea / (R T)), SI units with kmol. More...

struct	chemistry::Reaction
	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...

struct	chemistry::Mechanism
	One ideal-gas phase of a Cantera YAML file: its elements, species and reactions. More...

Enumerations
enum class	chemistry::ThermoModel { chemistry::NASA7 , chemistry::NASA9 , chemistry::CONSTANT_CP }

enum class	chemistry::MoleculeGeometry { chemistry::ATOM , chemistry::LINEAR , chemistry::NONLINEAR }

enum class	chemistry::ReactionType { chemistry::ELEMENTARY , chemistry::THREE_BODY , chemistry::FALLOFF , chemistry::PLOG , chemistry::CHEBYSHEV }

enum class	chemistry::FalloffType { chemistry::LINDEMANN , chemistry::TROE , chemistry::SRI }

Functions
double	chemistry::atomic_weight (const std::string &symbol)
	Atomic weight in kg/kmol of an element symbol (Cantera's table; case-insensitive), or a negative value if unknown.

Mechanism	chemistry::read_mechanism (const std::string &file, const std::string &phase="")
	Read a phase of a Cantera YAML file.

Variables
constexpr double	chemistry::AVOGADRO = 6.02214076e26

constexpr double	chemistry::BOLTZMANN = 1.380649e-23

constexpr double	chemistry::GAS_CONSTANT = AVOGADRO * BOLTZMANN

constexpr double	chemistry::ELEMENTARY_CHARGE = 1.602176634e-19

constexpr double	chemistry::ONE_ATM = 101325.0

constexpr double	chemistry::LIGHT_SPEED = 299792458.0

constexpr double	chemistry::EPSILON_0 = 8.854187812773345e-12

Detailed Description

Gas-phase mechanisms read from Cantera YAML files.

Author: Matthew Bonanni (mbona.nosp@m.nni0.nosp@m.01@gm.nosp@m.ail..nosp@m.com)

Classes