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: