Monte Carlo simulation of vapour-liquid equilibria in “Lennard-Jones + three-body potential” binary fluid mixtures

1996 ◽  
Vol 116 (1-2) ◽  
pp. 289-295 ◽  
Author(s):  
Richard J. Sadus
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Binary Fluid ◽  
Fluid Mixtures ◽  
Lennard Jones ◽  
Three Body ◽  
Body Potential ◽  
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.

Quadrupolar binary fluid mixtures critical lines from a hard‐sphere Lennard‐Jones quadrupolar molecular model

1987 ◽  
Vol 86 (11) ◽  
pp. 6432-6437 ◽  
Author(s):  
O. H. Scalise ◽  
G. J. Zarragoicoechea ◽  
A. E. Rodríguez ◽  
R. D. Gianotti
Keyword(s):  
Hard Sphere ◽  
Molecular Model ◽  
Binary Fluid ◽  
Fluid Mixtures ◽  
Lennard Jones ◽  
Binary Fluid Mixtures ◽  
Critical Lines
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