Thermo-Chemistry

ThermoChemistry is the chemistry-mechanism front-end for the reactive-flow solver. It reads a reaction mechanism (e.g. a Cantera YAML file), a phase name, a transport model, the fuel and oxidiser names, the equivalence ratio, and the number of phases. The resolved kinetics are used by SpeciesTransport and EnergyTransport.

Key Classes and Concepts

• ThermoChemistry : public OPObject: mechanism loader + source of reaction rates for the reactive-flow sub-tree.

Usage

Input

Defined in the @ThermoChemistry block.

@ThermoChemistry

$ReactionMechanism   Mechanism file (Cantera YAML)    : CH4_BFER.yaml
$PhaseName           Cantera phase name               : CH4_BFER_mix
$TransportName       Transport model                  : mixture-averaged
$FuelName            Fuel species name                : CH4
$Oxidizer            Oxidiser mixture                 : air
$EquivRatio          Equivalence ratio (ϕ)            : 1.0
$nPhases             Number of reactive phases        : 1.0

Token	Variable	Type	Default
$ReactionMechanism	ReactionMechanism	string	CH4_BFER.yaml
$PhaseName	PhaseName	string	CH4_BFER_mix
$TransportName	TransportName	string	mixture-averaged
$FuelName	FuelName	string	CH4
$Oxidizer	Oxidizer	string	air
$EquivRatio	ER	double	1.0
$nPhases	nPhases	double	1.0

Output

Reaction rates are published into the SpeciesTransport and EnergyTransport update; no dedicated file.

Example

#include "ReactiveFlows/ThermoChemistry.h"

ThermoChemistry TC(OPSettings, InputFile);
// TC feeds reaction rates into ST and ET during their Solve calls.

Dependencies

• SpeciesTransport, EnergyTransport, FlowMixture.
• External: a Cantera (or compatible) mechanism file.