Reaktoro  v2.1.1 A unified framework for modeling chemically reactive systems
PorousRockState Class Reference

The chemical state of a porous rock system filled with fluids. More...

#include <PorousRockState.hpp>

Collaboration diagram for PorousRockState:
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Public Member Functions

PorousRockState (const ChemicalSystem &system)
Construct a PorousRockState instance with standard conditions. More...

PorousRockState (const PorousRockState &other)
Construct a copy of a PorousRockState instance.

virtual ~PorousRockState ()
Destroy this PorousRockState instance.

auto operator= (PorousRockState other) -> PorousRockState &
Assign a PorousRockState instance to this instance.

auto setPorosity (real value) -> void
Set the porosity of the rock system.

auto setVolumeFractionAmongFluids (Index iphase, real value) -> void
Set the volume fraction of the fluid phase with given index among all other fluid phases.

auto setVolumeFractionAmongFluids (String phasename, real value) -> void
Set the volume fraction of the fluid phase with given named among all other fluid phases.

auto setVolumeFractionAmongSolids (Index iphase, real value) -> void
Set the volume fraction of the solid phase with given index among all other solid phases.

auto setVolumeFractionAmongSolids (String phasename, real value) -> void
Set the volume fraction of the solid phase with given named among all other solid phases.

auto equilibrate () -> void
Perform an equilibrium calculation of the porous rock system.

Public Member Functions inherited from ChemicalState
ChemicalState (ChemicalSystem const &system)
Construct a ChemicalState instance with standard conditions. More...

ChemicalState (ChemicalState const &other)
Construct a copy of a ChemicalState instance.

virtual ~ChemicalState ()
Destroy this ChemicalState instance.

auto operator= (ChemicalState other) -> ChemicalState &
Assign a ChemicalState instance to this instance.

auto setTemperature (real const &value) -> void
Set the temperature of the chemical state. More...

auto setTemperature (real value, Chars unit) -> void
Set the temperature of the chemical state with given unit. More...

auto temperature (real const &value) -> void
Set the temperature of the chemical state. More...

auto temperature (real value, Chars unit) -> void
Set the temperature of the chemical state with given unit. More...

auto temperature () const -> real
Return the temperature in the chemical state (in K).

auto setPressure (real const &value) -> void
Set the pressure of the chemical state. More...

auto setPressure (real value, Chars unit) -> void
Set the pressure of the chemical state with given unit. More...

auto pressure (real const &value) -> void
Set the pressure of the chemical state. More...

auto pressure (real value, Chars unit) -> void
Set the pressure of the chemical state with given unit. More...

auto pressure () const -> real
Return the pressure in the chemical state (in Pa).

auto setSpeciesAmounts (real const &value) -> void
Set the amounts of all species in the chemical state to a common value (in mol).

auto setSpeciesAmounts (ArrayXrConstRef const &n) -> void
Set the amounts of the species in the chemical state with given array (in mol).

auto setSpeciesAmounts (ArrayXdConstRef const &n) -> void
Set the amounts of the species in the chemical state with given array (in mol).

auto setSpeciesAmount (Index ispecies, real const &amount) -> void
Set the amount of a specific species in the system (in mol). More...

auto setSpeciesAmount (StringOrIndex const &species, real amount, Chars unit) -> void
Set the amount of a specific species in the system. More...

auto setSpeciesMass (StringOrIndex const &species, real mass, Chars unit) -> void
Set the mass of a specific species in the system. More...

auto set (StringOrIndex const &species, real value, Chars unit) -> void
Set the amount or mass of a chemical species in the chemical state. More...

auto add (StringOrIndex const &species, real value, Chars unit) -> void
Add a specified amount or mass of a chemical species in the chemical state. More...

auto speciesAmounts () const -> ArrayXrConstRef
Return the amounts of the species in the chemical state (in mol).

auto speciesAmountsInPhase (StringOrIndex const &phase) const -> ArrayXrConstRef
Return the amounts of the species from a phase in the chemical state (in mol). More...

auto speciesAmount (StringOrIndex const &species) const -> real
Return the amount of a species in the chemical state (in mol). More...

auto speciesMass (StringOrIndex const &species) const -> real
Return the mass of a species in the chemical state (in kg). More...

auto componentAmounts () const -> ArrayXr
Return the amounts of the conservative components (elements and charge) in the chemical state (in mol).

auto elementAmounts () const -> ArrayXr
Return the amounts of the elements in the chemical state (in mol).

auto charge () const -> real
Return the electric charge in the chemical state (in mol).

auto scaleSpeciesAmounts (real const &scalar) -> void
Scale the amounts of every species by a given factor. More...

auto scaleSpeciesAmounts (real const &scalar, Indices const &indices) -> void
Scale the amounts of the species with given indices. More...

auto scaleSpeciesAmountsInPhase (StringOrIndex const &phase, real const &scalar) -> void
Scale the amounts of the species in a phase by a given factor. More...

auto scaleAmount (real amount, Chars unit) -> void
Scale the amount of the system to a new value. More...

auto scalePhaseAmount (StringOrIndex const &phase, real amount, Chars unit) -> void
Scale the amount of a phase to a new value. More...

auto scaleFluidAmount (real amount, Chars unit) -> void
Scale the total amount of fluids in the system to a new value. More...

auto scaleSolidAmount (real amount, Chars unit) -> void
Scale the total amount of solids in the system to a new value. More...

auto scaleMass (real mass, Chars unit) -> void
Scale the mass of the system to a new value. More...

auto scalePhaseMass (StringOrIndex const &phase, real mass, Chars unit) -> void
Scale the mass of a phase to a new value. More...

auto scaleFluidMass (real mass, Chars unit) -> void
Scale the total mass of fluids in the system to a new value. More...

auto scaleSolidMass (real mass, Chars unit) -> void
Scale the total mass of solids in the system to a new value. More...

auto scaleVolume (real volume, Chars unit) -> void
Scale the volume of the system to a new value. More...

auto scalePhaseVolume (StringOrIndex const &phase, real volume, Chars unit) -> void
Scale the volume of a phase to a new value. More...

auto scaleFluidVolume (real volume, Chars unit) -> void
Scale the total volume of fluids in the system to a new value. More...

auto scaleSolidVolume (real volume, Chars unit) -> void
Scale the total volume of solids in the system to a new value. More...

auto update (real const &T, real const &P, ArrayXrConstRef const &n) -> void
Update the chemical state and properties of the system. More...

auto updateIdeal (real const &T, real const &P, ArrayXrConstRef const &n) -> void
Update the chemical state and properties of the system using ideal activity models. More...

auto system () const -> ChemicalSystem const &
Return the underlying chemical system for this chemical state.

auto props () const -> ChemicalProps const &
Return the chemical properties of the system. More...

auto props () -> ChemicalProps &
Return the chemical properties of the system. More...

auto equilibrium () const -> Equilibrium const &
Return the equilibrium properties of a calculated chemical equilibrium state.

auto equilibrium () -> Equilibrium &
Return the equilibrium properties of a calculated chemical equilibrium state.

auto output (std::ostream &out) const -> void
Output this ChemicalState instance to a stream.

auto output (String const &filename) const -> void
Output this ChemicalState instance to a file.

Detailed Description

The chemical state of a porous rock system filled with fluids.

◆ PorousRockState()

 PorousRockState ( const ChemicalSystem & system )
explicit

Construct a PorousRockState instance with standard conditions.

This constructor creates an instance of PorousRockState with temperature 25 °C, pressure 1 bar, and zero mole amounts for the species.

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