Self-diffusion in a fluid of square-well spheres

Citation
Yx. Yu et al., Self-diffusion in a fluid of square-well spheres, PHYS CHEM P, 3(3), 2001, pp. 437-443
Citations number
47
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
3
Issue
3
Year of publication
2001
Pages
437 - 443
Database
ISI
SICI code
1463-9076(2001)3:3<437:SIAFOS>2.0.ZU;2-N
Abstract
The self-diffusion coefficients for a dense fluid of particles interacting with a square-well potential are described. The expression for self-diffusi on coefficients obtained by the Chapman-Enskog method of solution is correc ted by the molecular dynamics simulation data. The structural data for the square-well fluid required in the calculation are obtained from explicit an alytic equations for the radial distribution function. The corrected equati on represents the self-diffusion coefficients with an average absolute devi ation of 4.63% for the square-well fluid. The results are compared with tho se of other expressions. In addition, the self-diffusion coefficients for r eal fluids composed of simple, near spherical molecules are correlated usin g the square-well potential, and acceptable agreement is obtained between t he calculated and experimental diffusion data.