Interface Documentation
ChemicalEngineDicts
ChemicalEngineDicts.IS
ChemicalEngineDicts.P
ChemicalEngineDicts.T
ChemicalEngineDicts.activate_multiple_phases()
ChemicalEngineDicts.activate_multiple_species()
ChemicalEngineDicts.activate_phase()
ChemicalEngineDicts.activate_species()
ChemicalEngineDicts.add_amt_from_formula()
ChemicalEngineDicts.add_element_amt()
ChemicalEngineDicts.add_multiple_elements_amt()
ChemicalEngineDicts.add_multiple_species_amt()
ChemicalEngineDicts.add_species_amt()
ChemicalEngineDicts.aq_composition
ChemicalEngineDicts.aq_el_M
ChemicalEngineDicts.aq_el_my
ChemicalEngineDicts.aq_elements_amounts
ChemicalEngineDicts.aq_elements_molality
ChemicalEngineDicts.aq_elements_molarity
ChemicalEngineDicts.aq_elements_moles
ChemicalEngineDicts.aq_phase_symbol
ChemicalEngineDicts.aq_sp_M
ChemicalEngineDicts.aq_sp_my
ChemicalEngineDicts.aq_species_composition
ChemicalEngineDicts.aq_species_molality
ChemicalEngineDicts.aq_species_molarity
ChemicalEngineDicts.aq_volume_frac
ChemicalEngineDicts.bulk_composition
ChemicalEngineDicts.clear()
ChemicalEngineDicts.clear_b_aq_part()
ChemicalEngineDicts.cold_start()
ChemicalEngineDicts.element_molar_masses
ChemicalEngineDicts.element_names
ChemicalEngineDicts.equilibrate()
ChemicalEngineDicts.gas_phase_symbol
ChemicalEngineDicts.get_b_from_formula()
ChemicalEngineDicts.ionic_strength
ChemicalEngineDicts.multiple_species_lower_bound()
ChemicalEngineDicts.multiple_species_upper_bound()
ChemicalEngineDicts.nelements
ChemicalEngineDicts.nphases
ChemicalEngineDicts.nspecies
ChemicalEngineDicts.pE
ChemicalEngineDicts.pH
ChemicalEngineDicts.phase_amounts
ChemicalEngineDicts.phase_elements_amounts
ChemicalEngineDicts.phase_masses
ChemicalEngineDicts.phase_molar_volume
ChemicalEngineDicts.phase_names
ChemicalEngineDicts.phase_sat_indices
ChemicalEngineDicts.phase_species_amounts()
ChemicalEngineDicts.phase_species_ln_activities
ChemicalEngineDicts.phase_species_ln_activity_coefficients
ChemicalEngineDicts.phase_species_lower_bounds
ChemicalEngineDicts.phase_species_moles()
ChemicalEngineDicts.phase_species_upper_bounds
ChemicalEngineDicts.phase_volume_frac
ChemicalEngineDicts.phase_volumes
ChemicalEngineDicts.phases_SI
ChemicalEngineDicts.phases_elements_moles
ChemicalEngineDicts.phases_mass
ChemicalEngineDicts.phases_molar_volume
ChemicalEngineDicts.phases_moles
ChemicalEngineDicts.phases_sat_index
ChemicalEngineDicts.phases_volume
ChemicalEngineDicts.phases_volume_frac
ChemicalEngineDicts.reset_aq_composition()
ChemicalEngineDicts.set_bulk_composition()
ChemicalEngineDicts.set_multiple_species_lower_bound()
ChemicalEngineDicts.set_multiple_species_upper_bound()
ChemicalEngineDicts.set_species_G0()
ChemicalEngineDicts.set_species_lower_bound()
ChemicalEngineDicts.set_species_upper_bound()
ChemicalEngineDicts.set_vector_b()
ChemicalEngineDicts.solid_elements_amounts()
ChemicalEngineDicts.solid_mass_frac
ChemicalEngineDicts.solid_volume_frac
ChemicalEngineDicts.solids_elements_moles()
ChemicalEngineDicts.solids_mass_frac
ChemicalEngineDicts.solids_volume_frac
ChemicalEngineDicts.species_amounts
ChemicalEngineDicts.species_charges
ChemicalEngineDicts.species_in_phase
ChemicalEngineDicts.species_ln_activities
ChemicalEngineDicts.species_ln_activity_coefficients
ChemicalEngineDicts.species_lower_bounds
ChemicalEngineDicts.species_molar_mass
ChemicalEngineDicts.species_molar_volumes
ChemicalEngineDicts.species_moles
ChemicalEngineDicts.species_names
ChemicalEngineDicts.species_upper_bounds
ChemicalEngineDicts.suppress_multiple_phases()
ChemicalEngineDicts.suppress_multiple_species()
ChemicalEngineDicts.suppress_phase()
ChemicalEngineDicts.suppress_species()
ChemicalEngineDicts.system_mass
ChemicalEngineDicts.system_volume
ChemicalEngineDicts.vector_b
ChemicalEngineDicts.vector_b_from_formula()
ChemicalEngineDicts.warm_start()
ChemicalEngine
ChemicalEngine.Eh()
ChemicalEngine.aqueousPhaseName()
ChemicalEngine.chemicalPotentials()
ChemicalEngine.converged()
ChemicalEngine.elapsedTime()
ChemicalEngine.elementAmounts()
ChemicalEngine.elementAmountsInPhase()
ChemicalEngine.elementAmountsInSpecies()
ChemicalEngine.elementMolarMasses()
ChemicalEngine.elementName()
ChemicalEngine.equilibrate()
ChemicalEngine.formulaMatrix()
ChemicalEngine.gasPhaseName()
ChemicalEngine.indexElement()
ChemicalEngine.indexFirstSpeciesInPhase()
ChemicalEngine.indexPhase()
ChemicalEngine.indexPhaseAll()
ChemicalEngine.indexPhaseWithSpecies()
ChemicalEngine.indexSpecies()
ChemicalEngine.indexSpeciesAll()
ChemicalEngine.initialize()
ChemicalEngine.initializeFromJsonStrings()
ChemicalEngine.ionicStrength()
ChemicalEngine.lnActivities()
ChemicalEngine.lnActivityCoefficients()
ChemicalEngine.lnConcentrations()
ChemicalEngine.moleFractions()
ChemicalEngine.numElements()
ChemicalEngine.numIterations()
ChemicalEngine.numPhases()
ChemicalEngine.numSpecies()
ChemicalEngine.numSpeciesInPhase()
ChemicalEngine.options
ChemicalEngine.pH()
ChemicalEngine.pe()
ChemicalEngine.phaseAmount()
ChemicalEngine.phaseAmounts()
ChemicalEngine.phaseDensities()
ChemicalEngine.phaseDensity()
ChemicalEngine.phaseEnthalpies()
ChemicalEngine.phaseEnthalpy()
ChemicalEngine.phaseEntropies()
ChemicalEngine.phaseEntropy()
ChemicalEngine.phaseHeatCapacitiesConstP()
ChemicalEngine.phaseHeatCapacityConstP()
ChemicalEngine.phaseMass()
ChemicalEngine.phaseMasses()
ChemicalEngine.phaseMolarEnthalpy()
ChemicalEngine.phaseMolarEntropy()
ChemicalEngine.phaseMolarGibbsEnergy()
ChemicalEngine.phaseMolarHeatCapacityConstP()
ChemicalEngine.phaseMolarVolume()
ChemicalEngine.phaseName()
ChemicalEngine.phaseSatIndex()
ChemicalEngine.phaseSatIndices()
ChemicalEngine.phaseSpecificEnthalpy()
ChemicalEngine.phaseSpecificEntropy()
ChemicalEngine.phaseSpecificGibbsEnergy()
ChemicalEngine.phaseSpecificHeatCapacityConstP()
ChemicalEngine.phaseSpecificVolume()
ChemicalEngine.phaseVolume()
ChemicalEngine.phaseVolumes()
ChemicalEngine.pressure()
ChemicalEngine.readDbrFromFile()
ChemicalEngine.readDbrFromJsonString()
ChemicalEngine.reequilibrate()
ChemicalEngine.setB()
ChemicalEngine.setColdStart()
ChemicalEngine.setPT()
ChemicalEngine.setSpeciesAmount()
ChemicalEngine.setSpeciesAmounts()
ChemicalEngine.setSpeciesLowerLimit()
ChemicalEngine.setSpeciesLowerLimits()
ChemicalEngine.setSpeciesUpperLimit()
ChemicalEngine.setSpeciesUpperLimits()
ChemicalEngine.setStandardMolarGibbsEnergy()
ChemicalEngine.setWarmStart()
ChemicalEngine.speciesAmount()
ChemicalEngine.speciesAmounts()
ChemicalEngine.speciesCharge()
ChemicalEngine.speciesLowerLimits()
ChemicalEngine.speciesMolalities()
ChemicalEngine.speciesMolarMasses()
ChemicalEngine.speciesName()
ChemicalEngine.speciesUpperLimits()
ChemicalEngine.standardMolarEnthalpy()
ChemicalEngine.standardMolarEntropy()
ChemicalEngine.standardMolarGibbsEnergy()
ChemicalEngine.standardMolarHeatCapacityConstP()
ChemicalEngine.standardMolarVolume()
ChemicalEngine.systemEnthalpy()
ChemicalEngine.systemEntropy()
ChemicalEngine.systemGibbsEnergy()
ChemicalEngine.systemHeatCapacityConstP()
ChemicalEngine.systemMass()
ChemicalEngine.systemVolume()
ChemicalEngine.temperature()
ChemicalEngine.writeDbrToFile()
ChemicalEngine.writeDbrToJsonString()
xGEMS::ChemicalEngine
ChemicalEngine()
~ChemicalEngine()
operator=()
reallocateEngineArrays()
initialize()
initializeFromJsonStrings()
readDbrFromFile()
readDbrFromJsonString()
writeDbrToFile()
writeDbrToJsonString()
numElements()
numSpecies()
numPhases()
numSpeciesInPhase()
elementName()
speciesName()
speciesCharge()
phaseName()
indexElement()
indexSpecies()
indexSpeciesAll()
indexPhase()
indexPhaseAll()
indexPhaseWithSpecies()
indexFirstSpeciesInPhase()
elementMolarMasses()
speciesMolarMasses()
formulaMatrix()
setSpeciesAmounts()
setSpeciesAmount()
setOptions()
options()
setWarmStart()
setColdStart()
setSpeciesUpperLimit()
setSpeciesLowerLimit()
setStandardMolarGibbsEnergy()
setSpeciesUpperLimits()
setSpeciesLowerLimits()
setPT()
setB()
reequilibrate()
equilibrate()
converged()
numIterations()
elapsedTime()
temperature()
pressure()
elementAmounts()
elementAmountsInPhase()
elementAmountsInSpecies()
speciesAmounts()
speciesAmount()
speciesUpperLimits()
speciesLowerLimits()
speciesMolalities()
moleFractions()
lnActivityCoefficients()
lnActivities()
lnConcentrations()
chemicalPotentials()
standardMolarGibbsEnergy()
standardMolarEnthalpy()
standardMolarVolume()
standardMolarEntropy()
standardMolarHeatCapacityConstP()
phaseMolarGibbsEnergy()
phaseMolarEnthalpy()
phaseMolarVolume()
phaseMolarEntropy()
phaseMolarHeatCapacityConstP()
phaseSpecificGibbsEnergy()
phaseSpecificEnthalpy()
phaseSpecificVolume()
phaseSpecificEntropy()
phaseSpecificHeatCapacityConstP()
phaseDensities()
phaseDensity()
phaseMasses()
phaseMass()
phaseAmounts()
phaseAmount()
phaseVolumes()
phaseVolume()
phaseEnthalpies()
phaseEnthalpy()
phaseEntropies()
phaseEntropy()
phaseHeatCapacitiesConstP()
phaseHeatCapacityConstP()
phaseSatIndices()
phaseSatIndex()
systemMass()
systemVolume()
ionicStrength()
pH()
pe()
Eh()
systemGibbsEnergy()
systemEnthalpy()
systemEntropy()
systemHeatCapacityConstP()
aqueousPhaseName()
gasPhaseName()
pimpl
xGEMS::ChemicalEngineMaps
ChemicalEngineMaps()
cold_start()
warm_start()
clear()
set_species_G0()
set_bulk_composition()
reset_aq_composition()
nelements()
nphases()
nspecies()
element_names()
species_names()
phase_names()
aq_phase_symbol()
gas_phase_symbol()
element_molar_masses()
species_in_phase()
species_charges()
species_molar_mass()
species_molar_volumes()
bulk_composition()
pE()
ionic_strength()
system_volume()
system_mass()
phases_molar_volume()
phase_sat_indices()
aq_elements_molarity()
aq_elements_molality()
aq_species_molarity()
aq_species_molality()
aq_elements_moles()
solids_elements_moles()
phases_elements_moles()
phases_moles()
species_moles()
species_ln_activities()
species_ln_activity_coefficients()
species_upper_bounds()
species_lower_bounds()
phase_species_moles()
solids_mass_frac()
solids_volume_frac()
aq_volume_frac()
phases_volume()
phases_mass()
phases_volume_frac()
add_multiple_species_amt()
add_species_amt()
add_element_amt()
add_multiple_elements_amt()
add_amt_from_formula()
get_b_from_formula()
set_multiple_species_lower_bound()
set_multiple_species_upper_bound()
set_species_lower_bound()
set_species_upper_bound()
suppress_phase()
suppress_multiple_phases()
suppress_species()
suppress_multiple_species()
activate_phase()
activate_multiple_phases()
activate_multiple_species()
activate_species()
phase_species_ln_activities()
phase_species_ln_activity_coefficients()
phase_species_upper_bounds()
phase_species_lower_bounds()
T
P
to_map()
to_phase_species_map()
clear_vector()
b_amounts
input_file
gem
m_element_names
m_species_names
m_phase_names
m_aq_phase_symbol
m_gas_phase_symbol
m_element_molar_masses
m_species_in_phase
m_species_charges
m_species_molar_mass
m_species_molar_volumes
xGEMS::ChemicalEngineOptions
warmstart
print_zero_amounts
xGEMS
ValuesMap
PhaseValuesMap
Vector
VectorXd
VectorXi
VectorRef
VectorXdRef
VectorXiRef
VectorConstRef
VectorXdConstRef
VectorXiConstRef
VectorMap
VectorXdMap
VectorXiMap
VectorConstMap
VectorXdConstMap
VectorXiConstMap
Matrix
MatrixXd
MatrixXi
MatrixRef
MatrixXdRef
MatrixXiRef
MatrixConstRef
MatrixXdConstRef
MatrixXiConstRef
MatrixMap
MatrixXdMap
MatrixXiMap
MatrixConstMap
MatrixXdConstMap
MatrixXiConstMap
Index
update_loggers()
printWrappedTable()
operator<<()
_status_encoder
all
A powerful tool for Gibbs-energy minimization and equilibrium computations.