AN APPLICATION OF STATISTICAL CHAIN THEORIES ON THERMODYNAMIC PROPERTIES OF BINARY AND TERNARY HYDROCARBON MIXTURES

Authors

  • Jurij Avsec University of Maribor, Faculty of Energy
  • Koichi Watanabe National Taiwan University, College of Bioresources and Agriculture
  • Milan Marčič University of Maribor, Faculty of Mech. Engineering
  • Andrej Predin University of Maribor, Faculty of Energy

DOI:

https://doi.org/10.18690/jet.2.1.85-102.2009

Keywords:

statistical thermomdynamics, thermomechanics, chain theory, refrigeration

Abstract

This paper discusses a mathematical model for computing the thermodynamic properties for binaryand ternary mixturesof propane, nͲbutane and isobutane intheir fluid phase with the aid of statistical chain theory. The constants required computing the characteristic temperatures of rotation, electronic state etc., and the moments of inertia are analytically obtained by applying knowledge of the atomic structure of the molecule. The procedure for calculating essential thermodynamic properties such as pressure, speed of sound, the JouleͲ Thomson coefficient, compressibility, enthalpyand thermal expansion coefficient is presented in the paper. This paper will discuss, forth efirst time, the application of statistical chaintheory and accuracy for binar yandternary mixture samong propane, nbutaneandiso butane, in their entire fluid phases for all important thermodynamic properties. To calculate the thermodynamic properties of the Lennard-Joneschains, we have used the Liu-Li-Luand Tang-Lu models. The thermodynamic properties of the Lennard-Jones mixtures are obtained using the one-fluid theory. Inrecent years, thermodynamic the ories based on statistical thermodynamics have been rapidly developing; fluids with chain bonding and association have also received
muchattention. Interests for these fluids are prompted by the factt hatt hey cover much wider
rangeofrealfluidsthansphericalones.Agoodtheoryforthesefluidswillbeverybeneficialto
chemical engineering applications by reducing the number of parameters and making them
morephysicallymeaningfulandmorepredictable.Intechnicalpractice,energyprocessesareof
vitalimportance.Inordertodesigndevicesinthisfield,itisnecessarytobefamiliarwiththe
equilibriumandnonequilibriumpropertiesofstateinsingleͲandtwoͲphaseenvironmentsfor
pure refrigerants and their mixtures. To calculate the thermodynamic properties of real fluid,
theLiuͲLiͲLu(LLL)(revisedCotterman)equationofstatebasedonsimpleperturbationtheory
and the SAFTͲVR equation of state for LJ chain fluid was applied. To compare the
thermodynamic properties of real fluid obtained by the SAFT theory we used the REFPROP
model.

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References

Avsec,J.,Watanabe,K.:Statisticalapproachtocalculatethermodynamicpropertiesfor

propane.Int.J.thermophys.,March2005,vol.26,no2,pp.453Ͳ470.

Avsec,J.,Watanabe,K:Anapproachtocalculatethermodynamicpropertiesofmixtures

includingpropane,nͲbutaneandisobutane.Int.J.thermophys.,2005,vol.26,no6,pp.

Ͳ1780.

Münster,A:StatisticalThermodynamics,SpringerͲVerlag,NewYork.,1974.

Lucas,K.,1992,AppliedStatisticalThermodynamics,SpringerͲVerlag,NewYork.

Gray,C.G.,Gubbins,K.E.,1984,TheoryofMolecularFluids,ClarendonPress,Oxford.

McClelland,B.J.,1980,StatisticalThermodynamics,Chapman&Hall,London.

Avsec,Jurij,Marēiē,Milan.Approachforcalculatingthermophysicalpropertieswiththe

help of statistical thermodynamics, J. thermophys. heat transf., JulyͲSeptember 2002,

vol.16,no.3,str.455Ͳ462.

Avsec,J.,AStudyofAssociatingLennardͲJonesChainsforHydrocarbons,8thAIAA/ASME

JointThermophysicsandHeatTransferConference,AIAAPaper2002Ͳ3339.

Tang,Y.,Lu,B.C.ͲY.,AnalyticalDescriptionoftheLennardͲJonesFluidandItsApplication,

AIChEJournal,1997,Vol.43,No.9,pp.2215Ͳ2226.

Tang,Y.,Lu,B.C.ͲY.,AnalyticalEquationofStateforLennardͲJonesMixtures,FluidPhase

Equilibria,1998,Vol.146,pp.73Ͳ92.

Tang, Y., Lu, B. C.ͲY., A Study of Associating LennardͲJones Chains by a New Reference

RadialDistributionFunction,FluidPhaseEquilibria,Vol.171,2000,pp.27Ͳ44.

Liu, Z.ͲP., Li, Y.ͲG., Lu, J.ͲF., Comparison of Equation of State for Pure LennardͲJones

FluidsandMixtureswithMolecularSimulation,FluidPhaseequilibria,Vol173,2000,pp.

Ͳ209.

Chapman,W.G.,Gubbins,K.E.,Jackson,G.,Radosz,M.,NewReferenceEquationofState

forAssociatingLiquids,Ind.Eng.Chem.Res.,Vol.29,No.8,1990,pp.1709Ͳ1721.

Condo,P.D.,Radosz,M.,EquationsofStateforPolymers,FluidPhaseEquilibria,Vol.117,

,pp.1Ͳ10.

Johnson, J.K., Gubbins, K.E., Phase Equilibria for Associating LennardͲJones Fluids from

TheoryandSimulation,MolecularPhysics,Vol.77,No.6.,1992,pp.1033Ͳ1053.

Wei Y. S., Sadus, R.J., Equations of State for the Calculation of FluidͲPhase Equilibria,

Equations of State for the Calculation of FluidͲPhase Equilibria, AIChE Journal, Vol. 46,

No.1,2000,pp.169Ͳ196.

Banaszak, M., Chen, C.K., Radosz, M., Copolymer SAFT Equation of State.

Thermodynamic Perturbation Theory Extended to Heterobonded Chains,

Macromolecules,Vol.29,No.20,1996,pp.6481Ͳ6486.

Huang,S.H.,Radosz,M.,EquationofStateforSmall,Large,PolydisperseandAssociating

Molecules,Ind.Eng.Chem.Res.,Vol.29,No.11,1990,pp.2284Ͳ2294.

Davies,L.A.,GilͲVillergas,A.,Jackson,G.,DescribingthePropertiesofChainsofSegments

InteractingViaSoftͲCorePotentialsofVariableRangewiththeSAFTͲVRApproach,Int.J.

Thermophys.,Vol.19,No.3,1998.

Chapman, W.G., Jackson, G., Gubbins, K.E., Phase Equilibria of Associating Fluids,

MolecularPhysics,Vol.65,No.5,1988,pp.1057Ͳ1079.

Huang,S.H.,Radosz,M.,EquationofStateforSmall,Large,PolydisperseandAssociation

Molecules, Extension to Fluid Mixtures, Ind. Eng. Chem. Res., Vol. 30, No. 8, 1991, pp.

Ͳ2005.

Chen C.ͲK., Banaszak, M., Radosz, M., Statistical Associating Fluid Theory Equation of

State with LennardͲJones Reference Applied to Pure and Binary nͲAlkane Systems, J.

Phys.Chem.B,Vol.102,No.13,1998,pp.2427Ͳ2431.

Jackson, G., Chapman, W.G., Gubbins, K.E., Phase Equilibria of Associating Fluids,

MolecularPhysics,Vol.65,No.1,1988,pp.1Ͳ31.

Kiselev,S.B.,Ely,J.F.,CrossoverSAFTEquationofState:ApplicationforNormalAlkanes,

Ind.Eng.Chem.Res.,Vol.38,No.12,1999,pp.4993Ͳ5004.

Müller,E.A.,Gubbins,K.E.,MolecularͲBasedEquationsofStateforAssociatingFluids:A

ReviewofSAFTandRelatedApproaches,Ind.Eng.Chem.Res.,Vol.40,No.10,2001,pp.

Ͳ2211.

Cotterman,R.L.,Prausnitz,J.M.m,MolecularThermodynamicsforFluidsatLowandHigh

Densities,AIChEJournal,Vol.32,No.1,1986,pp.1799Ͳ1811.

Mansoori,G.A.,Carnahan,N.F.,Starling,K.E.,Leland,T.W.,EquilibriumThermodynamic

Properties of the Mixtures of Hard Spheres, J. Chem. Phys., Vol. 54, No. 4, 1971, pp.

Ͳ1525.

Bellamy, L.J., 1980, The Infrared Spectra of Complex Molecules, Chapman & Hall,

London.

HerzbergG.,1966,ElectronicSpectraofPolyatomicMolecules,VanNostrandReinhold

Company,London.Toronto,Melbourne.

Herzberg, G., 1984, Infrared and Raman Spectra of Polyatomic Molecules, Van

NostrandReinholdCompany,NewYork.

Hirschfelder,O.O., Curtiss, C.F., Bird, R.B., 1954. Molecular Theory of Gases and

Liquids,JohnWiley&Sons,London.

Avsec, J., Watanabe, K., Marēiē, M., An Application of Statistical Chain Theories on

ThermodynamicPropertiesofHydrocarbonRefrigerants,PaperpresentedatICCTIUPAC

Conference,Rostock,Germany.

Miyamoto, H., Watanabe, K., 2000. A Thermodynamic Property Model for FluidͲPhase

Propane.Int.J.ofThermophys.,2000,Vol.21,No.5,pp.1045Ͳ1072.

Miyamoto, H., Watanabe, K., A Thermodynamic Property Model for FluidͲPhase nͲ

Butane.Int.J.Thermophys.,2001,Vol.22,No.2,pp.459Ͳ475.

Miyamoto; H., Watanabe, K., A Thermodynamic Property Model for FluidͲPhase

Isobutane,InternationalJournalofThermophysicsVol.23,No.2,2002,pp.:477Ͳ499.

Miyamoto; H., Watanabe, K., HelmholtzͲType Equations of State for Binary and/or

Ternary Hydrocarbon Mixtures of Propane, nͲButane, and isobutane, 5th IIR Gustav

LororentzenConferenceSept.16to20inChina,2002.

Johnson,J.K.,Müller,E.A.,Gubbins,K.E.,EquationofStateforLennardͲJonesChains,J.

Phys.Chem.,Vol.98,No.25,1994,pp.6413Ͳ6419.

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Published

17.05.2024

How to Cite

Avsec, J., Watanabe, K., Marčič, M., & Predin, A. (2024). AN APPLICATION OF STATISTICAL CHAIN THEORIES ON THERMODYNAMIC PROPERTIES OF BINARY AND TERNARY HYDROCARBON MIXTURES. Journal of Energy Technology, 2(1), 85-102. https://doi.org/10.18690/jet.2.1.85-102.2009

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