Radial Distribution Functions for Binary Fluid Mixtures of Lennard‐Jones Molecules Calculated from the Percus—Yevick Equation

1966 ◽  
Vol 44 (4) ◽  
pp. 1423-1444 ◽  
Author(s):  
Gerald J. Throop ◽  
Richard J. Bearman
Keyword(s):  
Radial Distribution ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Binary Fluid ◽  
Fluid Mixtures ◽  
Lennard Jones ◽  
Binary Fluid Mixtures

Evaluation of the Percus–Yevick Theory for Mixtures of Simple Liquids

1973 ◽  
Vol 51 (11) ◽  
pp. 1216-1226 ◽  
Author(s):  
E. W. Grundke ◽  
D. Henderson ◽  
R. D. Murphy
Keyword(s):  
Energy Equation ◽  
Geometrical Structure ◽  
Distribution Functions ◽  
Excess Properties ◽  
Simple Liquids ◽  
Binary Fluid ◽  
Fluid Mixtures ◽  
Lennard Jones ◽  
Binary Fluid Mixtures ◽  
Pair Distribution Functions

This paper reports zero-pressure excess properties of binary fluid mixtures of Lennard-Jones 6:12 molecules calculated from the Percus–Yevick (PY) theory and the energy equation. The PY theory, used this way, gives results that are in excellent agreement with simulation studies.In addition, results obtained from the compressibility equation are discussed for comparison. The geometrical structure of the mixture, as indicated by the PY pair distribution functions, is described. Error estimates are provided for the calculated excess properties.

XX.—On the Theory of Binary Fluid Mixtures

1957 ◽  
Vol 64 (3) ◽  
pp. 305-317 ◽  
Author(s):  
F. J. Pearson ◽  
G. S. Rushbrooke
Keyword(s):  
Correlation Function ◽  
Binary Mixture ◽  
Distribution Functions ◽  
Optical Scattering ◽  
Radial Distribution Functions ◽  
Binary Fluid ◽  
X Ray ◽  
Fluid Mixtures ◽  
Critical Opalescence ◽  
Binary Fluid Mixtures

A number of analogues to the simple fluid compressibility equation are deduced by considering fluctuations in a binary mixture; and their simplest expressions are found to be in terms of the binary mixture direct correlation functions. The accuracy of these results is tested with the aid of the appropriate extension of the approximate Born-Green theory, which facilitates the demonstration of consistency with the first three terms of the virial expansion. The problem of the evaluation of the corresponding radial distribution functions by means of X-ray or optical scattering is taken as far as the determination, in principle, of a concentration correlation function from observations of critical opalescence.

A Note on the Self Consistent Approximation Method for the Evaluation of Radial Distribution Functions of Simple Fluids

1976 ◽  
Vol 31 (1) ◽  
pp. 31-33 ◽  
Author(s):  
R. V. Gopala Rao ◽  
T. Nammalvar
Keyword(s):  
Radial Distribution ◽  
Approximation Method ◽  
Distribution Functions ◽  
The Self ◽  
Radial Distribution Functions ◽  
Simple Fluids ◽  
Consistent Approximation ◽  
Lennard Jones ◽  
Self Consistent

The self consistent approximation of Rowlinson, Carley and Lado has been applied to calculate the radial distribution functions of simple fluids (Neon, Krypton and Xenon) interacting with a Lennard-Jones 6:12 potential. It has been found that in general the self consistent values are nearer to the exact values than other values.

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