The Enskog theory for self-diffusion coefficients of simple fluids with continuous potentials

• Дата: 2001
• Автори: Miyazaki, K., Srinivas, G., Bagchi, B.
• Формат: Стаття
• Мова: English
• Опубліковано: Інститут фізики конденсованих систем НАН України 2001
• Назва видання: Condensed Matter Physics
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/120438
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: The Enskog theory for self-diffusion coefficients of simple fluids with continuous potentials / K. Miyazaki, G. Srinivas, B. Bagchi // Condensed Matter Physics. — 2001. — Т. 4, № 2(26). — С. 315-323. — Бібліогр.: 10 назв. — англ.

We develop the Enskog theory for the self-diffusion coefficient for fluids with continuous potentials. General expressions for the memory kernel and the self-diffusion coefficient are derived starting from the Green-Kubo formula. The time-dependent memory kernel is calculated and compared with molecular dynamics simulations for the Lennard-Jones fluid. Excellent agreement is obtained at low density. The self-diffusion coefficient is evaluated for several temperatures and densities. The ratio of the Enskog self-diffusion coefficient to the simulation value is plotted against density for the Lennard-Jones fluid. Significant difference of this density dependence from that for the hard-sphere fluid is observed. In particular, the well-known maximum observed in the hard-sphere fluid is found to be completely absent in the Lennard-Jones fluid.