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Reaktoro
A unified framework for modeling chemically reactive systems
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Thermo Class Reference
A type to calculate thermodynamic properties of chemical species. More...
#include <Thermo.hpp>
Public Member Functions | |
| Thermo (const Database &database) | |
| Construct a Thermo instance with given Database instance. | |
| Thermo (const ThermoFun::Database &database) | |
| Construct a Thermo instance with given ThermoFun::Database instance. | |
| auto | standardPartialMolarGibbsEnergy (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the apparent standard molar Gibbs free energy of a species (in units of J/mol). More... | |
| auto | standardPartialMolarHelmholtzEnergy (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the apparent standard molar Helmholtz free energy of a species (in units of J/mol). More... | |
| auto | standardPartialMolarInternalEnergy (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the apparent standard molar internal energy of a species (in units of J/mol). More... | |
| auto | standardPartialMolarEnthalpy (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the apparent standard molar enthalpy of a species (in units of J/mol). More... | |
| auto | standardPartialMolarEntropy (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the standard molar entropies of a species (in units of J/K). More... | |
| auto | standardPartialMolarVolume (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the standard molar volumes of a species (in units of m3/mol). More... | |
| auto | standardPartialMolarHeatCapacityConstP (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the standard molar isobaric heat capacity of a species (in units of J/(mol*K)). More... | |
| auto | standardPartialMolarHeatCapacityConstV (double T, double P, std::string species) const -> ThermoScalar |
| Calculate the standard molar isochoric heat capacity of a species (in units of J/(mol*K)). More... | |
| auto | lnEquilibriumConstant (double T, double P, std::string reaction) -> ThermoScalar |
| Calculate the ln equilibrium constant of a reaction. More... | |
| auto | logEquilibriumConstant (double T, double P, std::string reaction) -> ThermoScalar |
| Calculate the log equilibrium constant of a reaction. More... | |
| auto | hasStandardPartialMolarGibbsEnergy (std::string species) const -> bool |
| Return true if there is support for the calculation of the apparent standard molar Gibbs free energy of a species. More... | |
| auto | hasStandardPartialMolarHelmholtzEnergy (std::string species) const -> bool |
| Return true if there is support for the calculation of the apparent standard molar Helmholtz free energy of a species. More... | |
| auto | hasStandardPartialMolarInternalEnergy (std::string species) const -> bool |
| Return true if there is support for the calculation of the apparent standard molar internal energy of a species. More... | |
| auto | hasStandardPartialMolarEnthalpy (std::string species) const -> bool |
| Return true if there is support for the calculation of the apparent standard molar enthalpy of a species. More... | |
| auto | hasStandardPartialMolarEntropy (std::string species) const -> bool |
| Return true if there is support for the calculation of the standard molar entropies of a species. More... | |
| auto | hasStandardPartialMolarVolume (std::string species) const -> bool |
| Return true if there is support for the calculation of the standard molar volumes of a species. More... | |
| auto | hasStandardPartialMolarHeatCapacityConstP (std::string species) const -> bool |
| Return true if there is support for the calculation of the standard molar isobaric heat capacity of a species. More... | |
| auto | hasStandardPartialMolarHeatCapacityConstV (std::string species) const -> bool |
| Return true if there is support for the calculation of the standard molar isochoric heat capacity of a species. More... | |
| auto | speciesThermoStateHKF (double T, double P, std::string species) -> SpeciesThermoState |
| Calculate the thermodynamic state of an aqueous species using the HKF model. More... | |
| auto | waterThermoStateHGK (double T, double P) -> WaterThermoState |
| Calculate the thermodynamic state of water using the Haar–Gallagher–Kell (1984) equation of state. More... | |
| auto | waterThermoStateWagnerPruss (double T, double P) -> WaterThermoState |
| Calculate the thermodynamic state of water using the Wagner and Pruss (1995) equation of state. More... | |
Detailed Description
A type to calculate thermodynamic properties of chemical species.
Member Function Documentation
◆ standardPartialMolarGibbsEnergy()
| auto standardPartialMolarGibbsEnergy | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the apparent standard molar Gibbs free energy of a species (in units of J/mol).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarHelmholtzEnergy()
| auto standardPartialMolarHelmholtzEnergy | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the apparent standard molar Helmholtz free energy of a species (in units of J/mol).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarInternalEnergy()
| auto standardPartialMolarInternalEnergy | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the apparent standard molar internal energy of a species (in units of J/mol).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarEnthalpy()
| auto standardPartialMolarEnthalpy | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the apparent standard molar enthalpy of a species (in units of J/mol).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarEntropy()
| auto standardPartialMolarEntropy | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the standard molar entropies of a species (in units of J/K).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarVolume()
| auto standardPartialMolarVolume | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the standard molar volumes of a species (in units of m3/mol).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarHeatCapacityConstP()
| auto standardPartialMolarHeatCapacityConstP | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the standard molar isobaric heat capacity of a species (in units of J/(mol*K)).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ standardPartialMolarHeatCapacityConstV()
| auto standardPartialMolarHeatCapacityConstV | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | const -> ThermoScalar |
Calculate the standard molar isochoric heat capacity of a species (in units of J/(mol*K)).
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
◆ lnEquilibriumConstant()
| auto lnEquilibriumConstant | ( | double | T, |
| double | P, | ||
| std::string | reaction | ||
| ) | -> ThermoScalar |
Calculate the ln equilibrium constant of a reaction.
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) reaction The reaction equation
◆ logEquilibriumConstant()
| auto logEquilibriumConstant | ( | double | T, |
| double | P, | ||
| std::string | reaction | ||
| ) | -> ThermoScalar |
Calculate the log equilibrium constant of a reaction.
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) reaction The reaction equation
◆ hasStandardPartialMolarGibbsEnergy()
| auto hasStandardPartialMolarGibbsEnergy | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the apparent standard molar Gibbs free energy of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarHelmholtzEnergy()
| auto hasStandardPartialMolarHelmholtzEnergy | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the apparent standard molar Helmholtz free energy of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarInternalEnergy()
| auto hasStandardPartialMolarInternalEnergy | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the apparent standard molar internal energy of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarEnthalpy()
| auto hasStandardPartialMolarEnthalpy | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the apparent standard molar enthalpy of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarEntropy()
| auto hasStandardPartialMolarEntropy | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the standard molar entropies of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarVolume()
| auto hasStandardPartialMolarVolume | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the standard molar volumes of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarHeatCapacityConstP()
| auto hasStandardPartialMolarHeatCapacityConstP | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the standard molar isobaric heat capacity of a species.
- Parameters
-
species The name of the species
◆ hasStandardPartialMolarHeatCapacityConstV()
| auto hasStandardPartialMolarHeatCapacityConstV | ( | std::string | species | ) | const -> bool |
Return true if there is support for the calculation of the standard molar isochoric heat capacity of a species.
- Parameters
-
species The name of the species
◆ speciesThermoStateHKF()
| auto speciesThermoStateHKF | ( | double | T, |
| double | P, | ||
| std::string | species | ||
| ) | -> SpeciesThermoState |
Calculate the thermodynamic state of an aqueous species using the HKF model.
- Parameters
-
T The temperature value (in units of K) P The pressure value (in units of Pa) species The name of the species
- See also
- SpeciesThermoState
◆ waterThermoStateHGK()
| auto waterThermoStateHGK | ( | double | T, |
| double | P | ||
| ) | -> WaterThermoState |
Calculate the thermodynamic state of water using the Haar–Gallagher–Kell (1984) equation of state.
- Parameters
-
T The temperature of water (in units of K) P The pressure of water (in units of Pa)
- See also
- WaterThermoState
◆ waterThermoStateWagnerPruss()
| auto waterThermoStateWagnerPruss | ( | double | T, |
| double | P | ||
| ) | -> WaterThermoState |
Calculate the thermodynamic state of water using the Wagner and Pruss (1995) equation of state.
- Parameters
-
T The temperature of water (in units of K) P The pressure of water (in units of Pa)
- See also
- WaterThermoState
The documentation for this class was generated from the following files:
- Reaktoro/Thermodynamics/Core/Thermo.hpp
- Reaktoro/Thermodynamics/Core/Thermo.cpp
