Freezing of mixtures: The density functional theory

Journal Article · Thu Jun 28 00:00:00 EDT 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100376a007· OSTI ID:6519286

Rick, S W; Haymet, A D.J. ^[1]

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1. Univ. of Utah, Salt Lake City (USA)

We present the density functional theory for the freezing of several different kinds of mixtures. The phase diagrams of Lennard-Jones binary systems are presented, including models of real binary mixtures of argon, krypton, and methane. The phase diagram of binary mixtures of (a) hard spheres and (b) charged hard spheres are also presented. The freezing of polydisperse mixtures is also discussed.

• OSTI ID: 6519286
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:13; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKANES
ARGON
BINARY MIXTURES
CALCULATION METHODS
DIAGRAMS
DISPERSIONS
ELEMENTS
FLUIDS
FREEZING
GASES
HYDROCARBONS
KRYPTON
LENNARD-JONES POTENTIAL
MATHEMATICAL MODELS
METHANE
MIXTURES
NONMETALS
ORGANIC COMPOUNDS
PHASE DIAGRAMS
POTENTIALS
RARE GASES