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

## Detailed Description

The result of the chemical model function that calculates the chemical properties of a phase.

#include <PhaseChemicalModel.hpp>

Collaboration diagram for Reaktoro::PhaseChemicalModelResult:

## Public Member Functions

PhaseChemicalModelResult ()
Construct a default PhaseChemicalModelResult instance.

PhaseChemicalModelResult (unsigned nspecies)
Construct a PhaseChemicalModelResult instance with allocated memory.

auto resize (unsigned nspecies) -> void
Resize this PhaseChemicalModelResult with a given number of species.

## Public Attributes

unsigned num_species = 0
The number of species in the phase.

ChemicalVector ln_activity_coefficients
The natural log of the activity coefficients of the species.

ThermoVector ln_activity_constants
The natural log of the activity constants of the species.

ChemicalVector ln_activities
The natural log of the activities of the species.

ChemicalScalar molar_volume
The molar volume of the phase (in units of m3/mol).

ChemicalScalar residual_molar_gibbs_energy
The residual molar Gibbs energy of the phase w.r.t. to its ideal state (in units of J/mol).

ChemicalScalar residual_molar_enthalpy
The residual molar enthalpy of the phase w.r.t. to its ideal state (in units of J/mol).

ChemicalScalar residual_molar_heat_capacity_cp
The residual molar isobaric heat capacity of the phase w.r.t. to its ideal state (in units of J/(mol*K)).

ChemicalScalar residual_molar_heat_capacity_cv
The residual molar isochoric heat capacity of the phase w.r.t. to its ideal state (in units of J/(mol*K)).

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