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Density functional theory for the freezing of Lennard-Jones binary mixtures (1989)

Rick, Steven W. ; Haymet, A. D. J.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 90 (1989), S. 1188-1199

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The density functional theory of freezing is used to study the freezing of binary Lennard-Jones mixtures. The phase diagrams of several different Lennard-Jones systems are presented, including models of real binary mixtures of argon, krypton, and methane. The relative importance of size ratio and interaction energy are examined. Three generic types of phase diagram, found in real materials, are obtained. The phase diagram of the hard sphere binary mixture is also presented.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.456175

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