© 2024 Jasper van Baten, AmsterCHEM

getCompoundConstant

getCompoundConstant is used to retrieve compound specific constant values. It can return numeric or string properties.

Syntax

value=getCompoundConstant(constantName)

Arguments

constantName
String; name of the compound constants. The following compound constants may be supported, depending on the underlying thermo system:

constant namedescriptionunit of measure
casRegistryNumberCAS registration number(string)
chemicalFormulaChemical formula, Hill notation(string)
iupacNameIUPAC compound name(string)
SMILESformulaSMILES chemical formula(string)
acentricFactorAcentric factor-
associationParameterHayden-O'Connell association parameter-
bornRadiusBorn radiusm
chargeMolecular charge-
criticalCompressibilityFactorCritical compressibility factor-
criticalDensityCritical densitymol / m3
criticalPressureCritical pressurePa
criticalTemperatureCritical temperatureK
criticalVolumeCritical volumem3 / mol
diffusionVolumeDiffusion volumem3
dipoleMomentDipole momentC m
energyLennardJonesLennard Jones energy parameter divided by Bolzman factorK
gyrationRadiusRadius of gyrationM
heatOfFusionAtNormalFreezingPointEnthalpy change on melting at normal freezing point (101325 Pa)J / mol
heatOfVaporizationAtNormalBoilingPointEnthalpy change on vaporization at normal boiling point (101325 Pa)J / mol
idealGasEnthalpyOfFormationAt25CIdeal gas enthalpy of formation at 298.15 KJ / mol
idealGasGibbsFreeEnergyOfFormationAt25CIdeal gas Gibbs free energy of formation at 298.15 KJ / mol
liquidDensityAt25CLiquid density at 298.15 Kmol / m3
liquidVolumeAt25CLiquid volume at 298.15 Km3 / mol
lengthLennardJonesLennard Jones length parameterm
molecularWeightRelative molecular weightgr / mol
normalBoilingPointBoiling point temperature at 101325 PaK
normalFreezingPointMelting point temperature at 101325 PaK
parachorParachorm3 kg0.25 / (s 0.5 mol)
standardEntropyGasStandard entropy of gasJ / mol
standardEntropyLiquidStandard entropy of liquidJ / mol
standardEntropySolidStandard entropy of solidJ / mol
standardEnthalpyAqueousDilutionStandard aqueous infinite dilution enthalpyJ / mol
standardFormationEnthalpyGasStandard enthalpy change on formation of gasJ / mol
standardFormationEnthalpyLiquidStandard enthalpy change on formation of liquidJ / mol
standardFormationEnthalpySolidStandard enthalpy change on formation of solidJ / mol
standardFormationGibbsEnergyGasStandard Gibbs energy change on formation of gasJ / mol
standardFormationGibbsEnergyLiquidStandard Gibbs energy change on formation of liquidJ / mol
standardFormationGibbsEnergySolidStandard Gibbs energy change on formation of solidJ / mol
standardGibbsAqueousDilutionStandard aqueous infinite dilution Gibbs energyJ / mol
triplePointPressureTriple point pressurePa
triplePointTemperature Triple point temperatureK
vanderwaalsAreavan der Waals aream2 / mol
vanderwaalsVolumevan der Waals volumem3 / mol

Returns:

value
Values for the compound constants. For numeric values, this will be a row vector with one element for each compound. For string values, it will be a column vector of strings, also containing one value for each compound.

Examples

» Tc=getCompoundConstant('criticalTemperature')

Tc =

  282.3400   33.1900  305.3200  126.2000

» uom=getPropertyUnitOfMeasure('criticalTemperature')

uom =

K

» formula=getCompoundConstant('chemicalFormula')

formula = 

    'C2H4'    'H2'    'C2H6'    'N2'
INDEX
Acknowledgements
Additional files
Boolean parameters
Calculation
compNames
Dimensionality
Disclaimer
DOs and DONTs
Error trapping
Example
Feeds
Files
Formulas
Function reference
getAggregationState
getAggregationStateName
getCompoundConstant
getEquilibrium
getEquilibriumProperty
getFeedEquilibrium
getFeedProp
getNumberOfFeeds
getNumberOfProducts
getParameter
getPDependentProperty
getPropertyUnitOfMeasure
getSinglePhaseProperty
getTDependentProperty
getTwoPhaseProperty
getUnitOperationName
Global variables
Integer parameters
License
Loading models
logMessage
M files
Model files
nComp
nPhase
Parameters
phaseAggregationStates
phaseNames
Products
Real parameters
Reports
Requirements
Saving models
setParameter
setProduct
setReport
String parameters
SUM files
Welcome
CONTENT
 Welcome
 Feed and product ports
 Parameters
 Reports
 Matlab Calculation Script
 Additional files
 Global variables
 Function reference
 getAggregationState
 getAggregationStateName
 getCompoundConstant
 getEquilibrium
 getEquilibriumProperty
 getFeedEquilibrium
 getFeedProp
 getNumberOfFeeds
 getNumberOfProducts
 getParameter
 getPDependentProperty
 getPropertyUnitOfMeasure
 getSinglePhaseProperty
 getTDependentProperty
 getTwoPhaseProperty
 getUnitOperationName
 logMessage
 setParameter
 setProduct
 setReport
 Saving and loading models
 Persistence in AspenPlus
 License and disclaimer