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Perturbed hard‐chain theory: An equation of state for fluids containing small or large molecules
Author(s) -
Beret Samil,
Prausnitz J. M.
Publication year - 1975
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690210612
Subject(s) - chemistry , equation of state , van der waals force , molecule , partition function (quantum field theory) , thermodynamics , van der waals molecule , carbon monoxide , van der waals equation , vibrational partition function , compressibility factor , polymer , virial coefficient , van der waals surface , hydrogen , hydrogen sulfide , sulfur , van der waals radius , molecular vibration , quantum mechanics , physics , organic chemistry , hot band , catalysis
Generalized van der Waals theory is used to establish a partition function that considers the effect of density on rotational and vibrational motions in addition to translational degrees of freedom. A three‐parameter equation of state is derived from this partition function. The equation of state is applicable to small, spherical (argon‐like) molecules and also to large, structurally complex molecules, including polymers. Parameters are presented for three polymers and twenty‐two common fluids including light hydrocarbons, heavy hydrocarbons, nitrogen, carbon dioxide, hydrogen, carbon monoxide, hydrogen sulfide, sulfur dioxide, and water. The equation of state gives good liquid densities, and vapor pressures, and fair second virial coefficients.