Statistical Mechanics of Mixtures—The Average Potential Model

Bellemans, André; Mathot, Victor; Simon, Mario

doi:10.1002/9780470143575.ch3

Cited by 30 publications

(3 citation statements)

References 29 publications

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“…The interest in NAHS is motivated by the observed nonadditivity in real mixtures 26 and by the belief that large nonadditivity plays an essential role in the structure of some liquid alloys 27 . The limiting case of the NAHS model (so-called, Widom Rowlinson penetrable hard sphere mixture) can be used to describe condensation phenomena 28,29 .…”

Section: Model and Theorymentioning

confidence: 99%

“…The interest in NAHS is motivated by the observed nonadditivity in real mixtures and by the belief that large nonadditivity plays an essential role in the structure of some liquid alloys . The limiting case of the NAHS model (so-called, Widom Rowlinson penetrable hard sphere mixture) can be used to describe condensation phenomena. , NAHS pair potential has been successfully applied to the study of the morphology of composite polymer particles, the solubility of molecular additives in different solvents, the microstructure of micelles, and for the description of gas−gas phase transition at high pressure observed in mixtutes of rare gases .…”

Section: Model and Theorymentioning

confidence: 99%

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Population Inversion of a NAHS Mixture Adsorbed into a Cylindrical Pore

et al. 2008

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A cylindrical nanopore immersed in a non-additive hard sphere binary fluid is studied by means of integral equation theories and Monte Carlo simulations. It is found that at low and intermediate values of the bulk total number density the more concentrated bulk species is preferentially absorbed by the pore, as expected. However, further increments of the bulk number density lead to an abrupt population inversion in the confined fluid and an entropy driven prewetting transition at the outside wall of the pore. These phenomena are a function of the pore size, the non-additivity parameter, the bulk number density, and particles relative number fraction. We discuss our results in relation to the phase separation in the bulk.

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Section: Model and Theorymentioning

confidence: 99%

Section: Model and Theorymentioning

confidence: 99%

Population Inversion of a NAHS Mixture Adsorbed into a Cylindrical Pore

et al. 2008

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“…The NAHS fluid is probably the simplest model of binary mixtures where fluidfluid phase separation (one phase rich in particles of species 1, the other phase rich in particles of species 2) may occur, when both and the density of the fluid are large enough. The reasons why people are interested in NAHS are the observed nonadditivity in real mixtures 21 and the belief that in the structure of some liquid alloys, large nonadditivity plays an essential role. 22 Furthermore, Widom and Rowlinson 23 demonstrated that their idealized NAHS model (σ 11 = σ 22 = 0, σ 12 > 0) produced a fluid phase separation.…”

Section: Introductionmentioning

confidence: 99%

Phase separation of binary nonadditive hard sphere fluid mixture confined in random porous media

Chen

2013

The Journal of Chemical Physics

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I analyze the fluid-fluid phase separation of nonadditive hard sphere fluid mixture absorbed in random porous media. An equation of state is derived by using the perturbation theory to this complex system with quenched disorders. The results of this theory are in good agreement with those obtained from semi-grand canonical ensemble Monte Carlo simulations. The contact value of the fluid-fluid radial distribution functions of the reference which is the key point of the perturbation process is derived as well, the comparison against Monte Carlo simulations shows that it has an excellent accuracy.

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Molecular Theory of Liquid Mixtures

Köhler

1977

Ber Bunsenges Phys Chem

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The possibilities for predicting thermodynamic properties of mixtures by molecular theories are reviewed. The main difficulty is one's insufficient knowledge of pair potentials. The statistical theory is well developed for spherically-symmetric potentials, and recent extensions to angle-dependent potentials are noteworthy. This provides a qualitative understanding of many features of real systems, and quantitative agreement with computer simulations. However, quantitative agreement with real mixtures is hardly possible without adjustable parameters.

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Statistical Mechanics of Mixtures—The Average Potential Model

Cited by 30 publications

References 29 publications

Population Inversion of a NAHS Mixture Adsorbed into a Cylindrical Pore

Population Inversion of a NAHS Mixture Adsorbed into a Cylindrical Pore

Phase separation of binary nonadditive hard sphere fluid mixture confined in random porous media

Molecular Theory of Liquid Mixtures

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