A class to represent a reaction and its attributes. More...

#include <Reaction.hpp>

Public Member Functions
	Reaction ()
	Construct a default Reaction instance.

auto	clone () const -> Reaction
	Return a deep copy of this Reaction object.

auto	withName (String name) const -> Reaction
	Return a duplicate of this Reaction object with new reaction name.

auto	withEquation (ReactionEquation const &equation) const -> Reaction
	Return a duplicate of this Reaction object with new reaction equation.

auto	withRateModel (ReactionRateModel const &model) const -> Reaction
	Return a duplicate of this Reaction object with new reaction rate model.

auto	name () const -> String
	Return the name of the reaction.

auto	equation () const -> ReactionEquation const &
	Return the equation of the reaction.

auto	rateModel () const -> ReactionRateModel const &
	Return the rate model of the reaction.

auto	props (real T, real P) const -> ReactionThermoProps
	Calculate the complete set of thermodynamic properties of the reaction. More...

auto	props (real T, Chars unitT, real P, Chars unitP) const -> ReactionThermoProps
	Calculate the complete set of thermodynamic properties of the reaction. More...

auto	rate (ChemicalProps const &props) const -> real
	Calculate the rate of the reaction for given chemical properties of the system (in mol/s).

Detailed Description

A class to represent a reaction and its attributes.

The Reaction class provides a representation of a chemical reaction and operations such as the calculation of equilibrium constants at given temperature and pressure points, reaction quotients, and reaction rates.

See also: ReactionRate, EquilibriumConstant

Member Function Documentation

◆ props() [1/2]

auto props	(	real	T,
		real	P
	)		const -> ReactionThermoProps

Calculate the complete set of thermodynamic properties of the reaction.

Parameters

T	The temperature for the calculation (in K)
P	The pressure for the calculation (in Pa)

◆ props() [2/2]

auto props	(	real	T,
		Chars	unitT,
		real	P,
		Chars	unitP
	)		const -> ReactionThermoProps