Cantera 2.6.0

Public Member Functions | Public Attributes | Private Member Functions | Private Attributes | List of all members
vcs_VolPhase Class Reference

Phase information and Phase calculations for vcs. More...

`#include <vcs_VolPhase.h>`

Collaboration diagram for vcs_VolPhase:
[legend]

## Public Member Functions
| vcs_VolPhase (VCS_SOLVE *owningSolverObject=0)
| vcs_VolPhase (const vcs_VolPhase &b)=delete
vcs_VolPhase & | operator= (const vcs_VolPhase &b)=delete
void | resize (const size_t phaseNum, const size_t numSpecies, const size_t numElem, const char *const phaseName, const double molesInert=0.0)
| The resize() function fills in all of the initial information if it is not given in the constructor. More...
void | elemResize (const size_t numElemConstraints)
void | setMoleFractionsState (const double molNum, const double *const moleFracVec, const int vcsStateStatus)
| Set the moles and/or mole fractions within the phase. More...
void | setMolesFromVCS (const int stateCalc, const double *molesSpeciesVCS=0)
| Set the moles within the phase. More...
void | setMolesFromVCSCheck (const int vcsStateStatus, const double *molesSpeciesVCS, const double *const TPhMoles)
| Set the moles within the phase. More...
void | updateFromVCS_MoleNumbers (const int stateCalc)
| Update the moles within the phase, if necessary. More...
void | sendToVCS_ActCoeff (const int stateCalc, double *const AC)
| Fill in an activity coefficients vector within a VCS_SOLVE object. More...
void | setElectricPotential (const double phi)
| set the electric potential of the phase More...
double | electricPotential () const
| Returns the electric field of the phase. More...
double | GStar_calc_one (size_t kspec) const
| Gibbs free energy calculation for standard state of one species. More...
double | G0_calc_one (size_t kspec) const
| Gibbs free energy calculation at a temperature for the reference state of a species, return a value for one species. More...
double | VolStar_calc_one (size_t kspec) const
| Molar volume calculation for standard state of one species. More...
double | sendToVCS_VolPM (double *const VolPM) const
| Fill in the partial molar volume vector for VCS. More...
void | sendToVCS_GStar (double *const gstar) const
| Fill in the standard state Gibbs free energy vector for VCS. More...
void | setState_TP (const double temperature_Kelvin, const double pressure_PA)
| Sets the temperature and pressure in this object and underlying ThermoPhase objects. More...
void | setState_T (const double temperature_Kelvin)
| Sets the temperature in this object and underlying ThermoPhase objects. More...
void | sendToVCS_LnActCoeffJac (Array2D &LnACJac_VCS)
void | setPtrThermoPhase (ThermoPhase *tp_ptr)
| Set the pointer for Cantera's ThermoPhase parameter. More...
const ThermoPhase * | ptrThermoPhase () const
| Return a const ThermoPhase pointer corresponding to this phase. More...
double | totalMoles () const
| Return the total moles in the phase. More...
double | molefraction (size_t kspec) const
| Returns the mole fraction of the kspec species. More...
void | setTotalMoles (const double totalMols)
| Sets the total moles in the phase. More...
void | setMolesOutOfDate (int stateCalc=-1)
| Sets the mole flag within the object to out of date. More...
void | setMolesCurrent (int vcsStateStatus)
| Sets the mole flag within the object to be current. More...
const vector_fp & | moleFractions () const
| Return a const reference to the mole fractions stored in the object. More...
double | moleFraction (size_t klocal) const
void | setCreationMoleNumbers (const double *const n_k, const std::vector< size_t > &creationGlobalRxnNumbers)
| Sets the creationMoleNum's within the phase object. More...
const vector_fp & | creationMoleNumbers (std::vector< size_t > &creationGlobalRxnNumbers) const
| Return a const reference to the creationMoleNumbers stored in the object. More...
bool | isIdealSoln () const
| Returns whether the phase is an ideal solution phase. More...
size_t | phiVarIndex () const
| Return the index of the species that represents the the voltage of the phase. More...
void | setPhiVarIndex (size_t phiVarIndex)
vcs_SpeciesProperties * | speciesProperty (const size_t kindex)
| Retrieve the kth Species structure for the species belonging to this phase. More...
int | exists () const
| int indicating whether the phase exists or not More...
void | setExistence (const int existence)
| Set the existence flag in the object. More...
size_t | spGlobalIndexVCS (const size_t spIndex) const
| Return the Global VCS index of the kth species in the phase. More...
void | setSpGlobalIndexVCS (const size_t spIndex, const size_t spGlobalIndex)
| set the Global VCS index of the kth species in the phase More...
void | setTotalMolesInert (const double tMolesInert)
| Sets the total moles of inert in the phase. More...
double | totalMolesInert () const
| Returns the value of the total kmol of inert in the phase. More...
size_t | elemGlobalIndex (const size_t e) const
| Returns the global index of the local element index for the phase. More...
void | setElemGlobalIndex (const size_t eLocal, const size_t eGlobal)
| sets a local phase element to a global index value More...
size_t | nElemConstraints () const
| Returns the number of element constraints. More...
std::string | elementName (const size_t e) const
| Name of the element constraint with index `e`. More...
int | elementType (const size_t e) const
| Type of the element constraint with index `e`. More...
size_t | transferElementsFM (const ThermoPhase *const tPhase)
| Transfer all of the element information from the ThermoPhase object to the vcs_VolPhase object. More...
const Array2D & | getFormulaMatrix () const
| Get a constant form of the Species Formula Matrix. More...
int | speciesUnknownType (const size_t k) const
| Returns the type of the species unknown. More...
int | elementActive (const size_t e) const
size_t | nSpecies () const
| Return the number of species in the phase. More...
std::string | eos_name () const
| Return the name corresponding to the equation of state. More...

## Public Attributes
size_t | VP_ID_
| Original ID of the phase in the problem. More...
bool | m_singleSpecies
| If true, this phase consists of a single species. More...
bool | m_gasPhase
| If true, this phase is a gas-phase like phase. More...
int | m_eqnState
| Type of the equation of state. More...
size_t | ChargeNeutralityElement
| This is the element number for the charge neutrality condition of the phase. More...
int | p_activityConvention
| Convention for the activity formulation. More...
std::string | PhaseName
| String name for the phase. More...

## Private Member Functions
void | setMoleFractions (const double *const xmol)
| Set the mole fractions from a conventional mole fraction vector. More...
void | _updateActCoeff () const
| Evaluate the activity coefficients at the current conditions. More...
void | _updateGStar () const
| Gibbs free energy calculation for standard states. More...
void | _updateG0 () const
| Gibbs free energy calculation at a temperature for the reference state of each species. More...
void | _updateVolStar () const
| Molar volume calculation for standard states. More...
double | _updateVolPM () const
| Calculate the partial molar volumes of all species and return the total volume. More...
void | _updateLnActCoeffJac ()
| Evaluation of Activity Coefficient Jacobians. More...
void | _updateMoleFractionDependencies ()
| Updates the mole fraction dependencies. More...

## Private Attributes
VCS_SOLVE * | m_owningSolverObject
| Backtrack value of VCS_SOLVE *. More...
size_t | m_numElemConstraints
| Number of element constraints within the problem. More...
std::vector< std::string > | m_elementNames
| vector of strings containing the element constraint names More...
vector_int | m_elementActive
| boolean indicating whether an element constraint is active for the current problem More...
vector_int | m_elementType
| Type of the element constraint. More...
Array2D | m_formulaMatrix
| Formula Matrix for the phase. More...
vector_int | m_speciesUnknownType
| Type of the species unknown. More...
std::vector< size_t > | m_elemGlobalIndex
| Index of the element number in the global list of elements stored in VCS_SOLVE. More...
size_t | m_numSpecies
| Number of species in the phase. More...
double | m_totalMolesInert
| Total moles of inert in the phase. More...
bool | m_isIdealSoln
| Boolean indicating whether the phase is an ideal solution and therefore its molar-based activity coefficients are uniformly equal to one. More...
int | m_existence
| Current state of existence: More...
int | m_MFStartIndex
std::vector< size_t > | IndSpecies
| Index into the species vectors. More...
std::vector< vcs_SpeciesProperties * > | ListSpeciesPtr
| Vector of Species structures for the species belonging to this phase. More...
ThermoPhase * | TP_ptr
| If we are using Cantera, this is the pointer to the ThermoPhase object. More...
double | v_totalMoles
| Total mols in the phase. units are kmol. More...
vector_fp | Xmol_
| Vector of the current mole fractions for species in the phase. More...
vector_fp | creationMoleNumbers_
| Vector of current creationMoleNumbers_. More...
std::vector< size_t > | creationGlobalRxnNumbers_
| Vector of creation global reaction numbers for the phase stability problem. More...
size_t | m_phiVarIndex
| If the potential is a solution variable in VCS, it acts as a species. More...
double | m_totalVol
| Total Volume of the phase. Units are m**3. More...
vector_fp | SS0ChemicalPotential
| Vector of calculated SS0 chemical potentials for the current Temperature. More...
vector_fp | StarChemicalPotential
| Vector of calculated Star chemical potentials for the current Temperature and pressure. More...
vector_fp | StarMolarVol
| Vector of the Star molar Volumes of the species. units m3 / kmol. More...
vector_fp | PartialMolarVol
| Vector of the Partial molar Volumes of the species. units m3 / kmol. More...
vector_fp | ActCoeff
| Vector of calculated activity coefficients for the current state. More...
Array2D | np_dLnActCoeffdMolNumber
| Vector of the derivatives of the ln activity coefficient wrt to the current mole number multiplied by the current phase moles. More...
int | m_vcsStateStatus
| Status. More...
double | m_phi
| Value of the potential for the phase (Volts) More...
bool | m_UpToDate
| Boolean indicating whether the object has an up-to-date mole number vector and potential with respect to the current vcs state calc status. More...
bool | m_UpToDate_AC
| Boolean indicating whether activity coefficients are up to date. More...
bool | m_UpToDate_VolStar
| Boolean indicating whether Star volumes are up to date. More...
bool | m_UpToDate_VolPM
| Boolean indicating whether partial molar volumes are up to date. More...
bool | m_UpToDate_GStar
| Boolean indicating whether GStar is up to date. More...
bool | m_UpToDate_G0
| Boolean indicating whether G0 is up to date. More...
double | Temp_
| Current value of the temperature for this object, and underlying objects. More...
double | Pres_
| Current value of the pressure for this object, and underlying objects. More...

## Detailed Description

Phase information and Phase calculations for vcs.

Each phase in a vcs calculation has a vcs_VolPhase object associated with it. This object helps to coordinate property evaluations for species within the phase. Usually these evaluations must be carried out on a per phase basis. However, vcs frequently needs per species quantities. Therefore, we need an interface layer between vcs and Cantera's ThermoPhase.

The species stay in the same ordering within this structure. The vcs algorithm will change the ordering of species in the global species list. However, the indexing of species in this list stays the same. This structure contains structures that point to the species belonging to this phase in the global vcs species list.

This object is considered not to own the underlying Cantera ThermoPhase object for the phase.

This object contains an idea of the temperature and pressure. It checks to see if if the temperature and pressure has changed before calling underlying property evaluation routines.

The object contains values for the electric potential of a phase. It coordinates the evaluation of properties wrt when the electric potential of a phase has changed.

The object knows about the mole fractions of the phase. It controls the values of mole fractions, and coordinates the property evaluation wrt to changes in the mole fractions. It also will keep track of the likely values of mole fractions in multicomponent phases even when the phase doesn't actually exist within the thermo program.

The object knows about the total moles of a phase. It checks to see if the phase currently exists or not, and modifies its behavior accordingly.

Activity coefficients and volume calculations are lagged. They are only called when they are needed (and when the state has changed so that they need to be recalculated).

Definition at line 77 of file vcs_VolPhase.h.

## Constructor & Destructor Documentation

## ◆ vcs_VolPhase()

vcs_VolPhase | ( | VCS_SOLVE * | owningSolverObject = `0` | ) |

Definition at line 20 of file vcs_VolPhase.cpp.

## ◆ ~vcs_VolPhase()

~vcs_VolPhase | ( |  | ) |

Definition at line 54 of file vcs_VolPhase.cpp.

## Member Function Documentation

## ◆ resize()

void resize | ( | const size_t | phaseNum,
|  | const size_t | numSpecies,
|  | const size_t | numElem,
|  | const char *const | phaseName,
|  | const double | molesInert = `0.0`
| ) |  |

The resize() function fills in all of the initial information if it is not given in the constructor.

Parameters

  phaseNum | index of the phase in the vcs problem
  numSpecies | Number of species in the phase
  numElem | Number of elements in the phase
  phaseName | String name for the phase
  molesInert | kmoles of inert in the phase (defaults to zero)

Definition at line 61 of file vcs_VolPhase.cpp.

References AssertThrowMsg, Cantera::npos, VCS_SPECIES_TYPE_MOLNUM, and VCS_STATECALC_OLD.

Referenced by VCS_SOLVE::VCS_SOLVE().

## ◆ elemResize()

void elemResize | ( | const size_t | numElemConstraints | ) |

Definition at line 146 of file vcs_VolPhase.cpp.

## ◆ setMoleFractionsState()

void setMoleFractionsState | ( | const double | molNum,
|  | const double *const | moleFracVec,
|  | const int | vcsStateStatus
| ) |  |

Set the moles and/or mole fractions within the phase.

Parameters

  molNum | total moles in the phase
  moleFracVec | Vector of input mole fractions
  vcsStateStatus | Status flag for this update

Definition at line 233 of file vcs_VolPhase.cpp.

References VCS_PHASE_EXIST_NO, VCS_PHASE_EXIST_YES, VCS_PHASE_EXIST_ZEROEDPHASE, and VCS_STATECALC_TMP.

Referenced by VCS_SOLVE::vcs_phaseStabilityTest().

## ◆ setMolesFromVCS()

void setMolesFromVCS | ( | const int | stateCalc,
|  | const double * | molesSpeciesVCS = `0`
| ) |  |

Set the moles within the phase.

This function takes as input the mole numbers in vcs format, and then updates this object with their values. This is essentially a gather routine.

Parameters

  stateCalc | Flag indicating which mole numbers to update. Either `VCS_STATECALC_OLD` or `VCS_STATECALC_NEW`.
  molesSpeciesVCS | Array of mole numbers. Note, the indices for species in this array may not be contiguous. IndSpecies[] is needed to gather the species into the local contiguous vector format.

Definition at line 283 of file vcs_VolPhase.cpp.

References AssertThrowMsg, Cantera::npos, VCS_PHASE_EXIST_ALWAYS, VCS_PHASE_EXIST_NO, VCS_PHASE_EXIST_YES, VCS_SPECIES_TYPE_INTERFACIALVOLTAGE, VCS_STATECALC_NEW, and VCS_STATECALC_OLD.

Referenced by VCS_SOLVE::vcs_CalcLnActCoeffJac(), and VCS_SOLVE::vcs_VolTotal().

## ◆ setMolesFromVCSCheck()

void setMolesFromVCSCheck | ( | const int | vcsStateStatus,
|  | const double * | molesSpeciesVCS,
|  | const double *const | TPhMoles
| ) |  |

Set the moles within the phase.

This function takes as input the mole numbers in vcs format, and then updates this object with their values. This is essentially a gather routine.

Additionally it checks to see that the total moles value in TPhMoles[iplace] is equal to the internally computed value. If this isn't the case, an error exit is carried out.

Parameters

  vcsStateStatus | State calc value either `VCS_STATECALC_OLD` or `VCS_STATECALC_NEW`. With any other value nothing is done.
  molesSpeciesVCS | array of mole numbers. Note, the indices for species in this array may not be contiguous. IndSpecies[] is needed to gather the species into the local contiguous vector format.
  TPhMoles | VCS's array containing the number of moles in each phase.

Definition at line 364 of file vcs_VolPhase.cpp.

References Cantera::vcs_doubleEqual().

Referenced by VCS_SOLVE::vcs_delete_species(), VCS_SOLVE::vcs_reinsert_deleted(), and VCS_SOLVE::vcs_updateVP().

## ◆ updateFromVCS_MoleNumbers()

void updateFromVCS_MoleNumbers | ( | const int | stateCalc | ) |

Update the moles within the phase, if necessary.

This function takes as input the stateCalc value, which determines where within VCS_SOLVE to fetch the mole numbers. It then updates this object with their values. This is essentially a gather routine.

Parameters

  stateCalc | State calc value either VCS_STATECALC_OLD or VCS_STATECALC_NEW. With any other value nothing is done.

Definition at line 382 of file vcs_VolPhase.cpp.

References VCS_STATECALC_NEW, and VCS_STATECALC_OLD.

Referenced by VCS_SOLVE::vcs_dfe().

## ◆ sendToVCS_ActCoeff()

void sendToVCS_ActCoeff | ( | const int | stateCalc,
|  | double *const | AC
| ) |  |

Fill in an activity coefficients vector within a VCS_SOLVE object.

This routine will calculate the activity coefficients for the current phase, and fill in the corresponding entries in the VCS activity coefficients vector.

Parameters

  stateCalc | Flag indicating which mole numbers to update. Either `VCS_STATECALC_OLD` or `VCS_STATECALC_NEW`.
  AC | vector of activity coefficients for all of the species in all of the phases in a VCS problem. Only the entries for the current phase are filled in.

Definition at line 390 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_add_all_deleted(), VCS_SOLVE::vcs_dfe(), and VCS_SOLVE::vcs_phaseStabilityTest().

## ◆ setElectricPotential()

void setElectricPotential | ( | const double | phi | ) |

set the electric potential of the phase

Parameters

  phi | electric potential (volts)

Definition at line 426 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::VCS_SOLVE().

## ◆ electricPotential()

double electricPotential | ( |  | ) | const

Returns the electric field of the phase.

Units are potential

Definition at line 437 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_dfe().

## ◆ GStar_calc_one()

double GStar_calc_one | ( | size_t | kspec | ) | const

Gibbs free energy calculation for standard state of one species.

Calculate the Gibbs free energies for the standard state of the kth species. The results are held internally within the object.

Parameters

  kspec | Species number (within the phase)

Returns
  the Gibbs free energy for the standard state of the kth species.

Definition at line 187 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report().

## ◆ G0_calc_one()

double G0_calc_one | ( | size_t | kspec | ) | const

Gibbs free energy calculation at a temperature for the reference state of a species, return a value for one species.

Parameters

  kspec | species index

Returns
  value of the Gibbs free energy

Definition at line 173 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report().

## ◆ VolStar_calc_one()

double VolStar_calc_one | ( | size_t | kspec | ) | const

Molar volume calculation for standard state of one species.

Calculate the molar volume for the standard states. The results are held internally within the object.

Parameters

  kspec | Species number (within the phase)

Returns
  molar volume of the kspec species's standard state (m**3/kmol)

Definition at line 469 of file vcs_VolPhase.cpp.

## ◆ sendToVCS_VolPM()

double sendToVCS_VolPM | ( | double *const | VolPM | ) | const

Fill in the partial molar volume vector for VCS.

This routine will calculate the partial molar volumes for the current phase (if needed), and fill in the corresponding entries in the VCS partial molar volumes vector.

Parameters

  [out] | VolPM | vector of partial molar volumes for all of the species in all of the phases in a VCS problem. Only the entries for the current phase are filled in.

Definition at line 403 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_VolTotal().

## ◆ sendToVCS_GStar()

void sendToVCS_GStar | ( | double *const | gstar | ) | const

Fill in the standard state Gibbs free energy vector for VCS.

This routine will calculate the standard state Gibbs free energies for the current phase (if needed), and fill in the corresponding entries in the VCS standard state gibbs free energy vector.

Parameters

  [out] | gstar | vector of standard state Gibbs free energies for all of the species in all of the phases in a VCS problem. Only the entries for the current phase are filled in.

Definition at line 415 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_evalSS_TP().

## ◆ setState_TP()

void setState_TP | ( | const double | temperature_Kelvin,
|  | const double | pressure_PA
| ) |  |

Sets the temperature and pressure in this object and underlying ThermoPhase objects.

Parameters

  temperature_Kelvin | (Kelvin)
  pressure_PA | Pressure (MKS units - Pascal)

Definition at line 442 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report(), VCS_SOLVE::vcs_evalSS_TP(), VCS_SOLVE::vcs_prob_specifyFully(), and VCS_SOLVE::vcs_VolTotal().

## ◆ setState_T()

void setState_T | ( | const double | temperature_Kelvin | ) |

Sets the temperature in this object and underlying ThermoPhase objects.

Parameters

  temperature_Kelvin | (Kelvin)

Definition at line 458 of file vcs_VolPhase.cpp.

## ◆ sendToVCS_LnActCoeffJac()

void sendToVCS_LnActCoeffJac | ( | Array2D & | LnACJac_VCS | ) |

Definition at line 563 of file vcs_VolPhase.cpp.

## ◆ setPtrThermoPhase()

void setPtrThermoPhase | ( | ThermoPhase * | tp_ptr | ) |

Set the pointer for Cantera's ThermoPhase parameter.

When we first initialize the ThermoPhase object, we read the state of the ThermoPhase into vcs_VolPhase object.

Parameters

  tp_ptr | Pointer to the ThermoPhase object corresponding to this phase.

Definition at line 579 of file vcs_VolPhase.cpp.

References Phase::temperature(), and Cantera::warn_user().

Referenced by VCS_SOLVE::VCS_SOLVE().

## ◆ ptrThermoPhase()

const ThermoPhase * ptrThermoPhase | ( |  | ) | const

Return a const ThermoPhase pointer corresponding to this phase.

Returns
  pointer to the ThermoPhase.

Definition at line 615 of file vcs_VolPhase.cpp.

## ◆ totalMoles()

double totalMoles | ( |  | ) | const

Return the total moles in the phase.

Definition at line 620 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report(), vcs_MultiPhaseEquil::reportCSV(), VCS_SOLVE::vcs_prob_specifyFully(), and VCS_SOLVE::vcs_report().

## ◆ molefraction()

double molefraction | ( | size_t | kspec | ) | const

Returns the mole fraction of the kspec species.

Parameters

  kspec | Index of the species in the phase

Returns
  Value of the mole fraction

Definition at line 625 of file vcs_VolPhase.cpp.

## ◆ setTotalMoles()

void setTotalMoles | ( | const double | totalMols | ) |

Sets the total moles in the phase.

We don't have to flag the internal state as changing here because we have just changed the total moles.

Parameters

  totalMols | Total moles in the phase (kmol)

Definition at line 645 of file vcs_VolPhase.cpp.

References AssertThrowMsg, VCS_PHASE_EXIST_ALWAYS, VCS_PHASE_EXIST_NO, and VCS_PHASE_EXIST_YES.

Referenced by VCS_SOLVE::vcs_delete_multiphase(), VCS_SOLVE::VCS_SOLVE(), and VCS_SOLVE::vcs_tmoles().

## ◆ setMolesOutOfDate()

void setMolesOutOfDate | ( | int | stateCalc = `-1` | ) |

Sets the mole flag within the object to out of date.

This will trigger the object to go get the current mole numbers when it needs it.

Definition at line 667 of file vcs_VolPhase.cpp.

## ◆ setMolesCurrent()

void setMolesCurrent | ( | int | vcsStateStatus | ) |

Sets the mole flag within the object to be current.

Definition at line 675 of file vcs_VolPhase.cpp.

## ◆ setMoleFractions()

void setMoleFractions | ( | const double *const | xmol | ) |
| private

Set the mole fractions from a conventional mole fraction vector.

Parameters

  xmol | Value of the mole fractions for the species in the phase. These are contiguous.

Definition at line 195 of file vcs_VolPhase.cpp.

References VCS_STATECALC_TMP.

## ◆ moleFractions()

const vector_fp & moleFractions | ( |  | ) | const

Return a const reference to the mole fractions stored in the object.

Definition at line 223 of file vcs_VolPhase.cpp.

## ◆ moleFraction()

double moleFraction | ( | size_t | klocal | ) | const

Definition at line 228 of file vcs_VolPhase.cpp.

## ◆ setCreationMoleNumbers()

void setCreationMoleNumbers | ( | const double *const | n_k,
|  | const std::vector< size_t > & | creationGlobalRxnNumbers
| ) |  |

Sets the creationMoleNum's within the phase object.

Parameters

  n_k | Pointer to a vector of n_k's

Definition at line 630 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_phaseStabilityTest().

## ◆ creationMoleNumbers()

const vector_fp & creationMoleNumbers | ( | std::vector< size_t > & | creationGlobalRxnNumbers | ) | const

Return a const reference to the creationMoleNumbers stored in the object.

Returns
  a const reference to the vector of creationMoleNumbers

Definition at line 639 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_phaseStabilityTest(), and VCS_SOLVE::vcs_popPhaseRxnStepSizes().

## ◆ isIdealSoln()

bool isIdealSoln | ( |  | ) | const

Returns whether the phase is an ideal solution phase.

Definition at line 681 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_CalcLnActCoeffJac().

## ◆ phiVarIndex()

size_t phiVarIndex | ( |  | ) | const

Return the index of the species that represents the the voltage of the phase.

Definition at line 686 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_prob_specifyFully().

## ◆ setPhiVarIndex()

void setPhiVarIndex | ( | size_t | phiVarIndex | ) |

Definition at line 691 of file vcs_VolPhase.cpp.

## ◆ speciesProperty()

vcs_SpeciesProperties * speciesProperty | ( | const size_t | kindex | ) |

Retrieve the kth Species structure for the species belonging to this phase.

The index into this vector is the species index within the phase.

Parameters

  kindex | kth species index.

Definition at line 700 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_prep().

## ◆ exists()

int exists | ( |  | ) | const

int indicating whether the phase exists or not

returns the m_existence int for the phase

- VCS_PHASE_EXIST_ZEROEDPHASE = -6: Set to not exist by fiat from a higher level. This is used in phase stability boundary calculations
- VCS_PHASE_EXIST_NO = 0: Doesn't exist currently
- VCS_PHASE_EXIST_MINORCONC = 1: Exists, but the concentration is so low that an alternate method is used to calculate the total phase concentrations.
- VCS_PHASE_EXIST_YES = 2 : Does exist currently
- VCS_PHASE_EXIST_ALWAYS = 3: Always exists because it contains inerts which can't exist in any other phase. Or, the phase exists always because it consists of a single species, which is identified with the voltage, for example, it's an electron metal phase.

Definition at line 705 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::vcs_delete_species(), VCS_SOLVE::vcs_popPhaseID(), VCS_SOLVE::vcs_popPhasePossible(), VCS_SOLVE::vcs_popPhaseRxnStepSizes(), VCS_SOLVE::vcs_reinsert_deleted(), and VCS_SOLVE::vcs_RxnStepSizes().

## ◆ setExistence()

void setExistence | ( | const int | existence | ) |

Set the existence flag in the object.

Note the total moles of the phase must have been set appropriately before calling this routine.

Parameters

  existence | Phase existence flag

Note
  try to eliminate this routine

Definition at line 710 of file vcs_VolPhase.cpp.

References VCS_PHASE_EXIST_NO, and VCS_PHASE_EXIST_ZEROEDPHASE.

Referenced by VCS_SOLVE::vcs_prob_specifyFully(), VCS_SOLVE::vcs_reinsert_deleted(), and VCS_SOLVE::vcs_SSPhase().

## ◆ spGlobalIndexVCS()

size_t spGlobalIndexVCS | ( | const size_t | spIndex | ) | const

Return the Global VCS index of the kth species in the phase.

Parameters

  spIndex | local species index (0 to the number of species in the phase)

Returns
  the VCS_SOLVE species index of the species. This changes as rearrangements are carried out.

Definition at line 730 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report(), VCS_SOLVE::vcs_deltag(), VCS_SOLVE::vcs_phaseStabilityTest(), VCS_SOLVE::vcs_popPhaseID(), VCS_SOLVE::vcs_popPhasePossible(), VCS_SOLVE::vcs_popPhaseRxnStepSizes(), and VCS_SOLVE::vcs_switch_pos().

## ◆ setSpGlobalIndexVCS()

void setSpGlobalIndexVCS | ( | const size_t | spIndex,
|  | const size_t | spGlobalIndex
| ) |  |

set the Global VCS index of the kth species in the phase

Parameters

  spIndex | local species index (0 to the number of species in the phase)
  spGlobalIndex | Global species index (across all phases)

Returns
  the VCS_SOLVE species index of the that species This changes as rearrangements are carried out.

Definition at line 735 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::addOnePhaseSpecies(), and VCS_SOLVE::vcs_switch_pos().

## ◆ setTotalMolesInert()

void setTotalMolesInert | ( | const double | tMolesInert | ) |

Sets the total moles of inert in the phase.

Parameters

  tMolesInert | Value of the total kmols of inert species in the phase.

Definition at line 744 of file vcs_VolPhase.cpp.

References VCS_PHASE_EXIST_ALWAYS, VCS_PHASE_EXIST_NO, and VCS_PHASE_EXIST_YES.

## ◆ totalMolesInert()

double totalMolesInert | ( |  | ) | const

Returns the value of the total kmol of inert in the phase.

Definition at line 769 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report(), and VCS_SOLVE::vcs_prob_specifyFully().

## ◆ elemGlobalIndex()

size_t elemGlobalIndex | ( | const size_t | e | ) | const

Returns the global index of the local element index for the phase.

Definition at line 774 of file vcs_VolPhase.cpp.

References AssertThrow.

Referenced by VCS_SOLVE::addOnePhaseSpecies(), and VCS_SOLVE::vcs_switch_elem_pos().

## ◆ setElemGlobalIndex()

void setElemGlobalIndex | ( | const size_t | eLocal,
|  | const size_t | eGlobal
| ) |  |

sets a local phase element to a global index value

Parameters

  eLocal | Local phase element index
  eGlobal | Global phase element index

Definition at line 780 of file vcs_VolPhase.cpp.

References AssertThrow.

Referenced by VCS_SOLVE::addPhaseElements(), and VCS_SOLVE::vcs_switch_elem_pos().

## ◆ nElemConstraints()

size_t nElemConstraints | ( |  | ) | const

Returns the number of element constraints.

Definition at line 787 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::addOnePhaseSpecies(), VCS_SOLVE::addPhaseElements(), and VCS_SOLVE::vcs_switch_elem_pos().

## ◆ elementName()

std::string elementName | ( | const size_t | e | ) | const

Name of the element constraint with index `e`.

Parameters

  e | Element index.

Definition at line 792 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::addPhaseElements().

## ◆ elementType()

int elementType | ( | const size_t | e | ) | const

Type of the element constraint with index `e`.

Parameters

  e | Element index.

Definition at line 925 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::addPhaseElements().

## ◆ transferElementsFM()

size_t transferElementsFM | ( | const ThermoPhase *const | tPhase | ) |

Transfer all of the element information from the ThermoPhase object to the vcs_VolPhase object.

Also decide whether we need a new charge neutrality element in the phase to enforce a charge neutrality constraint.

Parameters

  tPhase | Pointer to the ThermoPhase object

Definition at line 821 of file vcs_VolPhase.cpp.

References Phase::charge(), Cantera::chargeNeutralityElement(), Phase::elementName(), Phase::elementType(), Cantera::hasChargedSpecies(), Phase::name(), Phase::nAtoms(), Phase::nElements(), Cantera::npos, Phase::nSpecies(), VCS_ELEM_TYPE_CHARGENEUTRALITY, VCS_ELEM_TYPE_ELECTRONCHARGE, VCS_SPECIES_TYPE_INTERFACIALVOLTAGE, and VCS_SPECIES_TYPE_MOLNUM.

## ◆ getFormulaMatrix()

const Array2D & getFormulaMatrix | ( |  | ) | const

Get a constant form of the Species Formula Matrix.

Returns a `double**` pointer such that `fm[e][f]` is the formula matrix entry for element `e` for species `k`

Definition at line 930 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::addOnePhaseSpecies().

## ◆ speciesUnknownType()

int speciesUnknownType | ( | const size_t | k | ) | const

Returns the type of the species unknown.

Parameters

  k | species index

Returns
  the SpeciesUnknownType[k] = type of species
  - Normal -> VCS_SPECIES_TYPE_MOLUNK (unknown is the mole number in the phase)
  - metal electron -> VCS_SPECIES_INTERFACIALVOLTAGE (unknown is the interfacial voltage (volts))

Definition at line 935 of file vcs_VolPhase.cpp.

## ◆ elementActive()

int elementActive | ( | const size_t | e | ) | const

Definition at line 940 of file vcs_VolPhase.cpp.

## ◆ nSpecies()

size_t nSpecies | ( |  | ) | const

Return the number of species in the phase.

Definition at line 945 of file vcs_VolPhase.cpp.

Referenced by vcs_MultiPhaseEquil::equilibrate_TP(), VCS_SOLVE::prob_report(), VCS_SOLVE::vcs_deltag(), VCS_SOLVE::vcs_phaseStabilityTest(), VCS_SOLVE::vcs_popPhasePossible(), VCS_SOLVE::vcs_popPhaseRxnStepSizes(), VCS_SOLVE::vcs_prob_specifyFully(), and VCS_SOLVE::vcs_solve_TP().

## ◆ eos_name()

std::string eos_name | ( |  | ) | const

Return the name corresponding to the equation of state.

Definition at line 950 of file vcs_VolPhase.cpp.

Referenced by VCS_SOLVE::prob_report(), and VCS_SOLVE::vcs_prob_specifyFully().

## ◆ _updateActCoeff()

void _updateActCoeff | ( |  | ) | const
| private

Evaluate the activity coefficients at the current conditions.

We carry out a calculation whenever m_UpToDate_AC is false. Specifically whenever a phase goes zero, we do not carry out calculations on it.

Definition at line 157 of file vcs_VolPhase.cpp.

## ◆ _updateGStar()

void _updateGStar | ( |  | ) | const
| private

Gibbs free energy calculation for standard states.

Calculate the Gibbs free energies for the standard states The results are held internally within the object.

Definition at line 181 of file vcs_VolPhase.cpp.

## ◆ _updateG0()

void _updateG0 | ( |  | ) | const
| private

Gibbs free energy calculation at a temperature for the reference state of each species.

Definition at line 167 of file vcs_VolPhase.cpp.

## ◆ _updateVolStar()

void _updateVolStar | ( |  | ) | const
| private

Molar volume calculation for standard states.

Calculate the molar volume for the standard states. The results are held internally within the object. Units are in m**3/kmol.

Definition at line 463 of file vcs_VolPhase.cpp.

## ◆ _updateVolPM()

double _updateVolPM | ( |  | ) | const
| private

Calculate the partial molar volumes of all species and return the total volume.

Calculates these quantities internally and then stores them

Returns
  total volume [m^3]

Definition at line 477 of file vcs_VolPhase.cpp.

References Cantera::GasConstant.

## ◆ _updateLnActCoeffJac()

void _updateLnActCoeffJac | ( |  | ) |
| private

Evaluation of Activity Coefficient Jacobians.

This is the derivative of the ln of the activity coefficient with respect to mole number of jth species. (temp, pressure, and other mole numbers held constant)

We employ a finite difference derivative approach here. Because we have to change the mole numbers, this is not a const function, even though the paradigm would say that it should be.

Definition at line 498 of file vcs_VolPhase.cpp.

## ◆ _updateMoleFractionDependencies()

void _updateMoleFractionDependencies | ( |  | ) |
| private

Updates the mole fraction dependencies.

Whenever the mole fractions change, this routine should be called.

Definition at line 212 of file vcs_VolPhase.cpp.

## Member Data Documentation

## ◆ m_owningSolverObject

VCS_SOLVE* m_owningSolverObject
| private

Backtrack value of VCS_SOLVE *.

Definition at line 530 of file vcs_VolPhase.h.

## ◆ VP_ID_

size_t VP_ID_

Original ID of the phase in the problem.

If a non-ideal phase splits into two due to a miscibility gap, these numbers will stay the same after the split.

Definition at line 538 of file vcs_VolPhase.h.

Referenced by VCS_SOLVE::prob_report(), and VCS_SOLVE::vcs_prob_specifyFully().

## ◆ m_singleSpecies

bool m_singleSpecies

If true, this phase consists of a single species.

Definition at line 541 of file vcs_VolPhase.h.

Referenced by VCS_SOLVE::prob_report(), VCS_SOLVE::vcs_add_all_deleted(), VCS_SOLVE::vcs_CalcLnActCoeffJac(), VCS_SOLVE::vcs_deltag(), VCS_SOLVE::vcs_dfe(), VCS_SOLVE::vcs_popPhaseID(), VCS_SOLVE::vcs_popPhaseRxnStepSizes(), VCS_SOLVE::vcs_prob_specifyFully(), VCS_SOLVE::vcs_RxnStepSizes(), and VCS_SOLVE::vcs_SSPhase().

## ◆ m_gasPhase

bool m_gasPhase

If true, this phase is a gas-phase like phase.

A RTlog(p/1atm) term is added onto the chemical potential for inert species if this is true.

Definition at line 548 of file vcs_VolPhase.h.

Referenced by VCS_SOLVE::prob_report(), VCS_SOLVE::vcs_GibbsPhase(), VCS_SOLVE::vcs_prob_specifyFully(), VCS_SOLVE::VCS_SOLVE(), and VCS_SOLVE::vcs_Total_Gibbs().

## ◆ m_eqnState

int m_eqnState

Type of the equation of state.

The known types are listed at the top of this file.

Definition at line 554 of file vcs_VolPhase.h.

Referenced by VCS_SOLVE::VCS_SOLVE().

## ◆ ChargeNeutralityElement

size_t ChargeNeutralityElement

This is the element number for the charge neutrality condition of the phase.

If it has one. If it does not have a charge neutrality constraint, then this value is equal to -1

Definition at line 562 of file vcs_VolPhase.h.

## ◆ p_activityConvention

int p_activityConvention

Convention for the activity formulation.

- 0 = molar based activities (default)
- 1 = Molality based activities, mu = mu_0 + ln a_molality. Standard state is based on unity molality

Definition at line 570 of file vcs_VolPhase.h.

Referenced by VCS_SOLVE::VCS_SOLVE().

## ◆ m_numElemConstraints

size_t m_numElemConstraints
| private

Number of element constraints within the problem.

This is usually equal to the number of elements.

Definition at line 577 of file vcs_VolPhase.h.

## ◆ m_elementNames

std::vector<std::string> m_elementNames
| private

vector of strings containing the element constraint names

Length = nElemConstraints

Definition at line 583 of file vcs_VolPhase.h.

## ◆ m_elementActive

vector_int m_elementActive
| private

boolean indicating whether an element constraint is active for the current problem

Definition at line 587 of file vcs_VolPhase.h.

## ◆ m_elementType

vector_int m_elementType
| private

Type of the element constraint.

m_elType[j] = type of the element:

- 0 VCS_ELEM_TYPE_ABSPOS Normal element that is positive or zero in all species.
- 1 VCS_ELEM_TYPE_ELECTRONCHARGE element dof that corresponds to the charge DOF.
- 2 VCS_ELEM_TYPE_OTHERCONSTRAINT Other constraint which may mean that a species has neg 0 or pos value of that constraint (other than charge)

Definition at line 600 of file vcs_VolPhase.h.

## ◆ m_formulaMatrix

Array2D m_formulaMatrix
| private

Formula Matrix for the phase.

FormulaMatrix(kspec,j) = Formula Matrix for the species Number of elements, j, in the kspec species

Definition at line 607 of file vcs_VolPhase.h.

## ◆ m_speciesUnknownType

vector_int m_speciesUnknownType
| private

Type of the species unknown.

SpeciesUnknownType[k] = type of species

- Normal -> VCS_SPECIES_TYPE_MOLUNK. (unknown is the mole number in the phase)
- metal electron -> VCS_SPECIES_INTERFACIALVOLTAGE. (unknown is the interfacial voltage (volts))

Definition at line 617 of file vcs_VolPhase.h.

## ◆ m_elemGlobalIndex

std::vector<size_t> m_elemGlobalIndex
| private

Index of the element number in the global list of elements stored in VCS_SOLVE.

Definition at line 620 of file vcs_VolPhase.h.

## ◆ m_numSpecies

size_t m_numSpecies
| private

Number of species in the phase.

Definition at line 623 of file vcs_VolPhase.h.

## ◆ PhaseName

std::string PhaseName

String name for the phase.

Definition at line 627 of file vcs_VolPhase.h.

Referenced by VCS_SOLVE::prob_report(), VCS_SOLVE::vcs_delete_multiphase(), VCS_SOLVE::vcs_popPhaseID(), VCS_SOLVE::vcs_popPhaseRxnStepSizes(), VCS_SOLVE::vcs_prob_specifyFully(), and VCS_SOLVE::vcs_report().

## ◆ m_totalMolesInert

double m_totalMolesInert
| private

Total moles of inert in the phase.

Definition at line 631 of file vcs_VolPhase.h.

## ◆ m_isIdealSoln

bool m_isIdealSoln
| private

Boolean indicating whether the phase is an ideal solution and therefore its molar-based activity coefficients are uniformly equal to one.

Definition at line 636 of file vcs_VolPhase.h.

## ◆ m_existence

int m_existence
| private

Current state of existence:

- VCS_PHASE_EXIST_ZEROEDPHASE = -6: Set to not exist by fiat from a higher level. This is used in phase stability boundary calculations
- VCS_PHASE_EXIST_NO = 0: Doesn't exist currently
- VCS_PHASE_EXIST_MINORCONC = 1: Exists, but the concentration is so low that an alternate method is used to calculate the total phase concentrations.
- VCS_PHASE_EXIST_YES = 2 : Does exist currently
- VCS_PHASE_EXIST_ALWAYS = 3: Always exists because it contains inerts which can't exist in any other phase. Or, the phase exists always because it consists of a single species, which is identified with the voltage, for example, its an electron metal phase.

Definition at line 652 of file vcs_VolPhase.h.

## ◆ m_MFStartIndex

int m_MFStartIndex
| private

This is always equal to zero. Am anticipating the case where the phase potential is species # 0, for multiphase phases. Right now we have the phase potential equal to 0 for single species phases, where we set by hand the mole fraction of species 0 to one.

Definition at line 662 of file vcs_VolPhase.h.

## ◆ IndSpecies

std::vector<size_t> IndSpecies
| private

Index into the species vectors.

Maps the phase species number into the global species number. Note, as part of the vcs algorithm, the order of the species vector is changed during the algorithm

Definition at line 670 of file vcs_VolPhase.h.

## ◆ ListSpeciesPtr

std::vector<vcs_SpeciesProperties*> ListSpeciesPtr
| private

Vector of Species structures for the species belonging to this phase.

The index into this vector is the species index within the phase.

Definition at line 676 of file vcs_VolPhase.h.

## ◆ TP_ptr

ThermoPhase* TP_ptr
| private

If we are using Cantera, this is the pointer to the ThermoPhase object.

If not, this is null.

Definition at line 682 of file vcs_VolPhase.h.

## ◆ v_totalMoles

double v_totalMoles
| private

Total mols in the phase. units are kmol.

Definition at line 685 of file vcs_VolPhase.h.

## ◆ Xmol_

vector_fp Xmol_
| private

Vector of the current mole fractions for species in the phase.

Definition at line 688 of file vcs_VolPhase.h.

## ◆ creationMoleNumbers_

vector_fp creationMoleNumbers_
| private

Vector of current creationMoleNumbers_.

These are the actual unknowns in the phase stability problem

Definition at line 694 of file vcs_VolPhase.h.

## ◆ creationGlobalRxnNumbers_

std::vector<size_t> creationGlobalRxnNumbers_
| private

Vector of creation global reaction numbers for the phase stability problem.

The phase stability problem requires a global reaction number for each species in the phase. Usually this is the krxn = kglob - M for species in the phase that are not components. For component species, the choice of the reaction is one which maximizes the chance that the phase pops into (or remains in) existence.

The index here is the local phase species index. the value of the variable is the global vcs reaction number. Note, that the global reaction number will go out of order when the species positions are swapped. So, this number has to be recalculated.

Length = number of species in phase

Definition at line 711 of file vcs_VolPhase.h.

## ◆ m_phiVarIndex

size_t m_phiVarIndex
| private

If the potential is a solution variable in VCS, it acts as a species.

This is the species index in the phase for the potential

Definition at line 715 of file vcs_VolPhase.h.

## ◆ m_totalVol

double m_totalVol
| mutable private

Total Volume of the phase. Units are m**3.

Definition at line 718 of file vcs_VolPhase.h.

## ◆ SS0ChemicalPotential

vector_fp SS0ChemicalPotential
| mutable private

Vector of calculated SS0 chemical potentials for the current Temperature.

Note, This is the chemical potential derived strictly from the polynomial in temperature. Pressure effects have to be added in to get to the standard state. Units are J/kmol.

Definition at line 727 of file vcs_VolPhase.h.

## ◆ StarChemicalPotential

vector_fp StarChemicalPotential
| mutable private

Vector of calculated Star chemical potentials for the current Temperature and pressure.

Note, This is the chemical potential at unit activity. Thus, we can call it the standard state chemical potential as well. Units are J/kmol.

Definition at line 735 of file vcs_VolPhase.h.

## ◆ StarMolarVol

vector_fp StarMolarVol
| mutable private

Vector of the Star molar Volumes of the species. units m3 / kmol.

Definition at line 738 of file vcs_VolPhase.h.

## ◆ PartialMolarVol

vector_fp PartialMolarVol
| mutable private

Vector of the Partial molar Volumes of the species. units m3 / kmol.

Definition at line 741 of file vcs_VolPhase.h.

## ◆ ActCoeff

vector_fp ActCoeff
| mutable private

Vector of calculated activity coefficients for the current state.

Whether or not this vector is current is determined by the bool m_UpToDate_AC.

Definition at line 748 of file vcs_VolPhase.h.

## ◆ np_dLnActCoeffdMolNumber

Array2D np_dLnActCoeffdMolNumber
| mutable private

Vector of the derivatives of the ln activity coefficient wrt to the current mole number multiplied by the current phase moles.

np_dLnActCoeffdMolNumber(k,j);

- j = id of the species mole number
- k = id of the species activity coefficient

Definition at line 757 of file vcs_VolPhase.h.

## ◆ m_vcsStateStatus

int m_vcsStateStatus
| private

Status.

valid values are

- VCS_STATECALC_OLD
- VCS_STATECALC_NEW
- VCS_STATECALC_TMP

Definition at line 766 of file vcs_VolPhase.h.

## ◆ m_phi

double m_phi
| private

Value of the potential for the phase (Volts)

Definition at line 769 of file vcs_VolPhase.h.

## ◆ m_UpToDate

bool m_UpToDate
| private

Boolean indicating whether the object has an up-to-date mole number vector and potential with respect to the current vcs state calc status.

Definition at line 773 of file vcs_VolPhase.h.

## ◆ m_UpToDate_AC

bool m_UpToDate_AC
| mutable private

Boolean indicating whether activity coefficients are up to date.

Activity coefficients and volume calculations are lagged. They are only called when they are needed (and when the state has changed so that they need to be recalculated).

Definition at line 781 of file vcs_VolPhase.h.

## ◆ m_UpToDate_VolStar

bool m_UpToDate_VolStar
| mutable private

Boolean indicating whether Star volumes are up to date.

Activity coefficients and volume calculations are lagged. They are only called when they are needed (and when the state has changed so that they need to be recalculated). Star volumes are sensitive to temperature and pressure

Definition at line 790 of file vcs_VolPhase.h.

## ◆ m_UpToDate_VolPM

bool m_UpToDate_VolPM
| mutable private

Boolean indicating whether partial molar volumes are up to date.

Activity coefficients and volume calculations are lagged. They are only called when they are needed (and when the state has changed so that they need to be recalculated). partial molar volumes are sensitive to everything

Definition at line 799 of file vcs_VolPhase.h.

## ◆ m_UpToDate_GStar

bool m_UpToDate_GStar
| mutable private

Boolean indicating whether GStar is up to date.

GStar is sensitive to the temperature and the pressure, only

Definition at line 805 of file vcs_VolPhase.h.

## ◆ m_UpToDate_G0

bool m_UpToDate_G0
| mutable private

Boolean indicating whether G0 is up to date.

G0 is sensitive to the temperature and the pressure, only

Definition at line 811 of file vcs_VolPhase.h.

## ◆ Temp_

double Temp_
| private

Current value of the temperature for this object, and underlying objects.

Definition at line 814 of file vcs_VolPhase.h.

## ◆ Pres_

double Pres_
| private

Current value of the pressure for this object, and underlying objects.

Definition at line 817 of file vcs_VolPhase.h.

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

- vcs_VolPhase.h
- vcs_VolPhase.cpp