Transport coefficients of hard-sphere mixtures. III. Diameter ratio 0. 4 and mass ratio 0. 03 at high fluid density

Journal Article · Thu Jul 01 00:00:00 EDT 1993 · Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States)

DOI:https://doi.org/10.1103/PhysRevE.48.223· OSTI ID:6425368

Erpenbeck, J J ^[1]

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1. Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

The equation of state and the transport coefficients of shear viscosity, thermal conductivity, thermal diffusion, and mutal diffusion are estimated for a binary, equimolar mixture of hard spheres having a diameter ratio of 0.4 and a mass ratio of 0.03 at volumes in the range 1.7[ital V][sub 0] to 3[ital V][sub 0] ([ital V][sub 0]=1/2 [radical]2 N[ital tsum][sub [ital a]x[ital a]][sigma][sub [ital a]][sup 3], where [ital x][sub [ital a]] are the mole fractions, [sigma][sub [ital a]] are the diameters, and [ital N] is the number of particles), complementing and, in some cases, improving earlier low-density results through Monte Carlo, molecular-dynamics calculations using the Green-Kubo formulas. Calculations are reported for 108 to 2048 particles, so that both finite-system and, in the case of the transport coefficients, long-time tail corrections can be applied to obtain accurate estimates of the pressure and the transport coefficients in the thermodynamic limit. Corrections of both types are found to be increasingly important at higher densities, for which the pressure is observed to become nonlinear in 1/[ital N] over the range covered. The Mansoori-Carnahan-Starling-Leland (MCSL) equation is found to account for the pressure with considerable accuracy for [ital V][ge]1.7[ital V][sub 0]; the difference between the observed (infinite-system) pressure and the MCSL prediction increases monotonically with density, reaching 0.4% at [ital V]=1.7[ital V][sub 0]. For volumes below 2[ital V][sub 0] the pressure in excess of the MCSL prediction is found to soften'' slightly in its dependence on the density.

• OSTI ID: 6425368
• Journal Information: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States), Vol. 48:1; ISSN 1063-651X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BINARY MIXTURES
PHYSICAL PROPERTIES
HARD-SPHERE MODEL
CORRECTIONS
DENSITY
DIFFUSION
EQUATIONS OF STATE
KUBO FORMULA
SHEAR PROPERTIES
SIZE
THERMAL CONDUCTIVITY
THERMAL DIFFUSION
THERMODYNAMICS
VISCOSITY
DISPERSIONS
EQUATIONS
MECHANICAL PROPERTIES
MIXTURES
THERMODYNAMIC PROPERTIES
665000* - Physics of Condensed Matter- (1992-)