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

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
TThe temperature for the calculation (in K)
PThe 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
TThe temperature for the calculation
unitTThe temperature unit for the calculation
PThe pressure for the calculation
unitPThe pressure unit for the calculation

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