Nonlocal integral-equation approximations. II. Lennard-Jones fluids

Journal Article · Tue May 01 04:00:00 EDT 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.458487· OSTI ID:6902520

Zhou, Y ^[1]; Stell, G ^[2]

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1. Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (USA)
2. Departments of Chemistry, State University of New York at Stony Brook, Stony Brook, NY (USA) Department of Mechanical Engineering, State University of New York at Stony Brook, Stony Brook, NY (USA)

The zeroth order (hydrostatic) nonlocal integral-equation approximation is applied here to Lennard-Jones (LJ) fluids. Systems of homogeneous LJ fluids are investigated, as well as LJ fluids near a hard wall, a model CO{sub 2} wall, and inside two model CO{sub 2} walls. The hydrostatic hypernetted chain (HHNC) approximation is shown to be better than both the Percus--Yevick and the hypernetted chain approximations when compared with computer simulations. The phenomena of solid wetting by liquid, solid wetting by gas, and capillary condensation are predicted by the HHNC approximation.

• OSTI ID: 6902520
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 92:9; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
CORRELATION FUNCTIONS
EQUATIONS
FLUIDS
FUNCTIONS
HARD-SPHERE MODEL
INTEGRAL EQUATIONS
LENNARD-JONES POTENTIAL
LIQUIDS
OXIDES
OXYGEN COMPOUNDS
PERCUS-YEVICK EQUATION
POTENTIALS
STRUCTURE FACTORS
WETTABILITY