Equation of state for thermodynamic properties of chain fluids near-to and far-from the vapor{endash}liquid critical region

Journal Article · Fri Oct 01 04:00:00 EDT 1999 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.479892· OSTI ID:686441

Jiang, J; Prausnitz, J M ^[1]

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1. Department of Chemical Engineering, University of California, Berkeley, California 94720 (United States)

Upon incorporation of contributions from long-wavelength density fluctuations by a renormalization-group theory, a crossover equation of state is developed for describing thermodynamic properties of chain fluids. Outside the critical region, the crossover equation of state reduces to the classical equation; inside the critical region, it gives nonclassical universal critical exponents. The crossover equation of state correctly represents phase equilibria and pVT properties of chain fluids in both regions. Good agreement is obtained upon comparisons with computer simulations for square-well chain fluids. As obtained from experimental vapor{endash}pressure and density data, the square-well segment{endash}segment parameters for {ital n}-alkanes from ethane to eicosane are linear functions of molecular weight. Calculated thermodynamic properties agree well with experiment for {ital n}-alkanes from methane to hexatriacontane. {copyright} {ital 1999 American Institute of Physics.}

• OSTI ID: 686441
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 13 Vol. 111; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
ALKANES
CRITICAL TEMPERATURE
DENSITY
EQUATIONS OF STATE
FLUIDS
MOLECULAR WEIGHT
ORGANIC COMPOUNDS
PHASE TRANSFORMATIONS
THERMODYNAMIC PROPERTIES
VAPOR PRESSURE