Statistical mechanical theory for nonuniform fluids: Properties of the hard‐sphere system and a perturbation theory for nonuniform simple fluids

1977 ◽  
Vol 67 (2) ◽  
pp. 537-546 ◽  
Author(s):  
Y. Singh ◽  
Farid F. Abraham
Keyword(s):  
Perturbation Theory ◽  
Hard Sphere ◽  
Mechanical Theory ◽  
Simple Fluids ◽  
Nonuniform Fluids ◽  
Statistical Mechanical

The Determination and Statistical Mechanical Interpretation of the Solubility of Water in Benzene, Carbon Tetrachloride, and Cyclohexane

1974 ◽  
Vol 52 (9) ◽  
pp. 1668-1680 ◽  
Author(s):  
Saul Goldman
Keyword(s):  
Perturbation Theory ◽  
Carbon Tetrachloride ◽  
Water System ◽  
Water Systems ◽  
Hydrogen Bonding Interaction ◽  
Mechanical Theory ◽  
Water Solvent ◽  
Bonding Interaction ◽  
Statistical Mechanical ◽  
Mechanical Interpretation

The solubility of water in each of benzene, carbon tetrachloride, and cyclohexane, was determined at 5° intervals over the range 10 to 40 °C. The solubilities were converted to Henry's law constants and these constants were interpreted by means of a statistical mechanical theory based on Zwanzig's perturbation theory of fluids. A fitting-parameter in the form of a correction factor to the water–solvent pairwise potential function was required. The values of this parameter for the benzene–water and cyclohexane–water systems could be rationalized on the basis of anisotropy of solvent polarizability. The values of the parameter for the carbon tetrachloride – water system were consistent with a hydrogen-bonding interaction between water and carbon tetrachloride.

A new, accurate, statistical mechanical theory for simple fluids

1984 ◽  
Vol 102 (7) ◽  
pp. 303-305 ◽  
Author(s):  
Forrest J. Rogers ◽  
David A. Young
Keyword(s):  
Mechanical Theory ◽  
Simple Fluids ◽  
Statistical Mechanical

Theoretical scheme for the study of thermodynamic and transport properties of simple fluids at the liquid-glass transition line.

2002 ◽  
Vol 754 ◽  
Author(s):  
M. Robles ◽  
L. I. Uruchurtu ◽  
M. López de Haro
Keyword(s):  
Perturbation Theory ◽  
Glass Transition ◽  
Transport Properties ◽  
Hard Sphere ◽  
Liquid Glass ◽  
Transition Line ◽  
Simple Fluids ◽  
Lennard Jones ◽  
Theoretical Scheme ◽  
Thermodynamic And Transport Properties

ABSTRACTIn this work we present a theoretical scheme to study the thermodynamic and transport properties of simple fluids at the liquid-glass transition line. This scheme makes use of a recent reformulation of the classical perturbation theory of liquids [M. Robles and M. López de Haro, Phys. Chem. Chem. Phys. 3, 5528 (2001)]. Using the hard-sphere fluid as a reference system our approach requires the choice of an equation of state for the hard-sphere system and a criterion to determine an effective (density and temperature dependent) diameter. Selecting the diameter in the same way as in the Mansoori-Canfield /Rasaiah-Stell variational perturbation theory and two different equations of state for the hard-sphere system, the liquid-glass transition line in the density vs. temperature plane for a Lennard-Jones fluid derived with our approach is shown to be in very good agreement with recent numerical simulations. The transition line in the pressure vs density plane and the value of the transport coefficients in the vicinity of the liquid-glass transition for the Lennard-Jones fluid are also examined.

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