© 2024 Jasper van Baten, AmsterCHEM

getSinglePhaseProperty

getSinglePhaseProperty is used to retrieve single phase mixture properties.

Syntax

value=getSinglePhaseProperty(propName,phaseName,T,P,moleFraction)

Arguments

propName
String; name of the property. The following single phase properties may be supported, depending on the underlying thermo system:

property namedescriptionunit of measure
activityActivity-
activityCoefficientActivity coefficient-
compressibilityIsothermal compressibility: (1/V) d V / d P1 / Pa
compressibilityFactorCompressibility factor: Z = (P V) / (R T)-
densityDensitymol / m3
diffusionCoefficientBinary diffusion coefficients for all species in mixture relative to all other speciesm2 / s
dissociationConstantChemical equilibrium constant corresponding to a dissociation reaction-
enthalpyDefault enthalpyJ / mol
enthalpyFEnthalpy, including formation termsJ / mol
enthalpyNFEnthalpy, not including formation termsJ / mol
entropyDefault entropyJ / (mol K)
entropyFEntropy, including formation termsJ / mol / K
entropyNFEntropy, not including formation termsJ / mol / K
excessEnthalpyExcess enthalpyJ / mol
excessEntropyExcess entropyJ / mol / K
excessGibbsEnergyExcess Gibbs energyJ / mol
excessGibbsFreeEnergyExcess Gibbs energyJ / mol
excessHelmholtzEnergyExcess Helmholtz energyJ / mol
excessHelmholtzFreeEnergyExcess Helmholtz energyJ / mol
excessInternalEnergyExcess internal energyJ / mol
excessVolumeExcess volumem3 / mol
fugacityFugacityPa
fugacityCoefficientFugacity coefficient-
gibbsEnergyGibbs free energyJ / mol
gibbsFreeEnergyGibbs free energyJ / mol
heatCapacityHeat capacity at constant pressureJ / mol / K
heatCapacityCpHeat capacity at constant pressureJ / mol / K
heatCapacityCvHeat capacity at constant volumeJ / mol / K
helmholtzEnergyHelmholtz free energyJ / mol
helmholtzFreeEnergyHelmholtz free energyJ / mol
internalEnergyInternal energyJ / mol
jouleThomsonCoefficientJoule Thomsom coefficient: derivative of temperature w.r.t. pressure at constant enthalpyK / Pa
logFugacityNatural logarithm of fugacity (expressed in Pa)-
logFugacityCoefficientNatural logarithm of fugacity coefficient-
meanActivityCoefficientThe geometrical mean of the activity coefficients of the ions in an electrolyte solution-
molecularWeightRelative molecular weightgr / mol
osmoticCoefficientA measure of water activities-
pHpH-
pOHpOH-
speedOfSoundThermodynamic speed of soundm / s
thermalConductivityThermal conductivityW / m / K
viscosityViscosityPa s
volumeVolumem3 / mol
The temperature derivatives of the above properties may be obtained by adding .Dtemperature to the property name, e.g. enthalpy.Dtemperature. Pressure derivatives may be obtained by adding .Dpressure. Mole fraction derivatives may be obtained by adding .DmolFraction. Mole number derivatives - for a total of 1 mole of mixture - may be obtained by by adding .Dmoles.
See getFeedProperty for comments on various kinds of enthalpy.

phaseName
String; name of the phase for which to retrieve the property. The defined phase names depend on the underlying thermo system.

T
Double; temperature (K) at which to retrieve the property values

P
Double; pressure (Pa) at which to retrieve the property values

moleFraction
Double; composition at which to retrieve the property values. This must be a vector, with the number of elements equal to the number of compounds.

Returns:

value
Double; values for the properties. Depending on the property, this may be a scalar value (e.g. enthalpy), a vector value (one value for each compound, e.g. logFugacityCoefficient), or a matrix (number of compounds squared, e.g. logFugacityCoefficient.Dmolfraction)

Examples

» h=getSinglePhaseProperty('enthalpy','vapor',500,101325,[0.1 0.3 0.2 0.4])

h =

  7.8120e+003

» uom=getPropertyUnitOfMeasure('enthalpy')

uom =

J / mol

» hdp=getSinglePhaseProperty('enthalpy.Dpressure','vapor',500,101325,[0.1 0.3 0.2 0.4])

hdp =

 -4.5430e-005

» uom=getPropertyUnitOfMeasure('enthalpy.Dpressure')

uom =

J / mol / Pa

» hdx=getSinglePhaseProperty('enthalpy.DmolFraction','vapor',500,101325,[0.1 0.3 0.2 0.4])

hdx =

  1.0e+004 *

    1.0577    0.5879    1.3126    0.5913

» uom=getPropertyUnitOfMeasure('enthalpy.DmolFraction')

uom =

J / mol

» f=getSinglePhaseProperty('logFugacityCoefficient','liquid',500,101325,[0.1 0.3 0.2 0.4])

f =

    9.9024   10.9345    9.6735   10.6284

» f=getSinglePhaseProperty('logFugacityCoefficient.DmolFraction','liquid',500,101325,[0.1 0.3 0.2 0.4])

f =

   -1.2346   -0.3963   -1.3626   -0.5794
   -2.1502   -0.9039   -2.4540   -1.3200
   -0.9780   -0.3155   -1.1005   -0.4244
   -1.7360   -0.7227   -1.9655   -1.0728
 
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