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Estimating the virial coefficients of small polar molecules

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Abstract

We adapt existing models for estimating the second and third virial coefficients of small molecules to the halogenated methanes and ethanes. We compare the results with the abundant new, high-qualityPVT data resulting from the search for alternative refrigerants. The present model provides an accurate method for calculating densities, and therefore it should provide reliable thermodynamic properties and fugacity coefficients. We give equations and parameters useful for estimating the properties of pure refrigerants and their mixtures when noPVT data are available.

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Abbreviations

B :

Second virial coeficient

B 12 :

Mixture cross second virial

B h :

Second virial of a hard sphere fluid

ℬ i (T):

Temperature function, second virial, Eq. (7)

C :

Third virial coefficient

C 112,C 122 :

Mixture cross third virials

C h :

Third virial of a hard sphere fluid

N :

Avogadro's number

P c :

Critical pressure

P c12 :

Characteristic critical pressure of a binary mixture

T c :

Critical temperature

T c12 :

Characteristic critical temperature of a binary mixture

T r :

Reduced temperature,T/T c

α :

Parameter measuring polar contribution toB, Eq. (3)

b :

Volume of a hard sphere molecule

f (f) :

Polynomials determining temperature dependence of the nonpolar part ofB

k 12 :

Binary interaction parameter for mixtures, Eq. (9a)

χ c :

Critical volume

α e :

Molecular polarizability

μ :

Dipole moment

μ R :

Reduced dipole moment, Eq. (4)

μ R12 :

Mixture reduced dipole moment, second virial

μ R112,μ R122 :

Mixture reduced dipole moment, third virial

ω :

Pitzer acentric factor

ω 12 :

Mixture acentric factor

σ(r):

Intermolecular potential

ϱ c :

Critical density (1/ηc)

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  1. Thermophysics Division, Chemical Science and Technology Laboratory, National Institute of Standards and Technology, 20899, Gaithersburg, Maryland, USA

    L. A. Weber

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Weber, L.A. Estimating the virial coefficients of small polar molecules. Int J Thermophys 15, 461–482 (1994). https://doi.org/10.1007/BF01563708

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  • DOI: https://doi.org/10.1007/BF01563708

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