Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::ReactionThermoInterpolatedProperties Struct Reference

Detailed Description

A type for storing thermodynamic properties of a reaction over a range of temperatures and pressures.

The thermodynamic properties are represented by BilinearInterpolator instances, where the temperature points (in units of K) are along the x-coordinates, and the pressure points (in units of Pa) are along the y-coordinates.

#include <ThermoData.hpp>

Collaboration diagram for Reaktoro::ReactionThermoInterpolatedProperties:

Public Attributes

ReactionEquation equation
 The equation of the reaction as pairs (reactant, stoichiometry)
 
BilinearInterpolator lnk
 The interpolator of the equilibrium constant \(\ln k_{\mathrm{eq}}\) of the reaction.
 
BilinearInterpolator gibbs_energy
 The interpolator of the standard molar Gibbs free energy \(\Delta G_{r}^{\circ}\) of the reaction (in units of J/mol)
 
BilinearInterpolator helmholtz_energy
 The interpolator of the standard molar Helmholtz free energy \(\Delta A_{r}^{\circ}\) of the reaction (in units of J/mol)
 
BilinearInterpolator internal_energy
 The interpolator of the standard molar internal energy \(\Delta U_{r}^{\circ}\) of the reaction (in units of J/mol)
 
BilinearInterpolator enthalpy
 The interpolator of the standard molar enthalpy \(\Delta H_{r}^{\circ}\) of the reaction (in units of J/mol)
 
BilinearInterpolator entropy
 The interpolator of the standard molar entropy \(\Delta S_{r}^{\circ}\) of the reaction (in units of J/K)
 
BilinearInterpolator volume
 The interpolator of the standard molar volume \(\Delta V_{r}^{\circ}\) of the reaction (in units of m3/mol)
 
BilinearInterpolator heat_capacity_cp
 The interpolator of the standard molar isobaric heat capacity \( \Delta C_{P}^{\circ}\) of the reaction (in units of J/(mol*K))
 
BilinearInterpolator heat_capacity_cv
 The interpolator of the standard molar isochoric heat capacity \( \Delta C_{V}^{\circ}\) of the reaction (in units of J/(mol*K))
 

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