EquilibriumPredictor Class Reference

Used to predict a chemical equilibrium state at given conditions using first-order Taylor approximation. More...

#include <EquilibriumPredictor.hpp>

Public Member Functions
	EquilibriumPredictor (ChemicalState const &state0, EquilibriumSensitivity const &sensitivity0)
	Construct a EquilibriumPredictor object. More...
	EquilibriumPredictor (EquilibriumPredictor const &other)
	Construct a copy of a EquilibriumPredictor object.
	~EquilibriumPredictor ()
	Destroy this EquilibriumPredictor object.
auto	operator= (EquilibriumPredictor other) -> EquilibriumPredictor &
	Assign a copy of a EquilibriumPredictor object to this.
auto	predict (ChemicalState &state, EquilibriumConditions const &conditions) const -> void
	Perform a first-order Taylor prediction of the chemical state at given conditions. More...
auto	predict (ChemicalState &state, VectorXdConstRef const &dw, VectorXdConstRef const &dc) const -> void
	Perform a first-order Taylor prediction of the chemical state at given conditions. More...
auto	speciesChemicalPotentialPredicted (Index ispecies, VectorXdConstRef const &dw, VectorXdConstRef const &dc) const -> double
	Perform a first-order Taylor prediction of the chemical potential of a species at given conditions.
auto	speciesChemicalPotentialReference (Index ispecies) const -> double
	Return the chemical potential of a species at given reference conditions.

Detailed Description

Used to predict a chemical equilibrium state at given conditions using first-order Taylor approximation.

Constructor & Destructor Documentation

EquilibriumPredictor()

EquilibriumPredictor	(	ChemicalState const &	state0,
		EquilibriumSensitivity const &	sensitivity0
	)

Construct a EquilibriumPredictor object.

Parameters

state0	The reference chemical equilibrium state from which first-order Taylor predictions are made.
sensitivity0	The sensitivity derivatives of the chemical equilibrium state at the reference point.

Member Function Documentation

predict() [1/2]

auto predict	(	ChemicalState &	state,
		EquilibriumConditions const &	conditions
	)		const -> void

Perform a first-order Taylor prediction of the chemical state at given conditions.

Parameters

[out]	state	The predicted chemical equilibrium state
	conditions	The conditons at which the chemical equilibrium state must be satisfied

predict() [2/2]

auto predict	(	ChemicalState &	state,
		VectorXdConstRef const &	dw,
		VectorXdConstRef const &	dc
	)		const -> void

Perform a first-order Taylor prediction of the chemical state at given conditions.

Parameters

[out]	state	The predicted chemical equilibrium state
	dw	The change in the values of the input variables w.
	dc	The change in the values of the initial amounts of conservative components c.

---

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

• Reaktoro/Equilibrium/EquilibriumPredictor.hpp