Reaktoro  v2.1.1 A unified framework for modeling chemically reactive systems
Reaction Class Reference

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.

ReactionRate, EquilibriumConstant

## ◆ 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

Calculate the complete set of thermodynamic properties of the reaction.

Parameters
 T The temperature for the calculation unitT The temperature unit for the calculation P The pressure for the calculation unitP The pressure unit for the calculation

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