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http://hdl.handle.net/2445/18884
Title: | Self and cross-velocity correlation functions and diffusion coefficients in liquids: a molecular dynamics study of binary mixtures of soft spheres |
Author: | Trullàs Simó, Joaquim Padró i Cárdenas, Joan Àngel |
Keywords: | Cristal·lografia Propietats de la matèria Crystallography Properties of matter |
Issue Date: | 1994 |
Publisher: | The American Physical Society |
Abstract: | Molecular dynamics simulation is applied to the study of the diffusion properties in binary liquid mixtures made up of soft-sphere particles with different sizes and masses. Self- and distinct velocity correlation functions and related diffusion coefficients have been calculated. Special attention has been paid to the dynamic cross correlations which have been computed through recently introduced relative mean molecular velocity correlation functions which are independent on the reference frame. The differences between the distinct velocity correlations and diffusion coefficients in different reference frames (mass-fixed, number-fixed, and solvent-fixed) are discussed. |
Note: | Reproducció del document publicat a: http://10.1103/PhysRevE.50.1162 |
It is part of: | Physical Review E, 1994, vol. 50, núm. 2, p. 1162-1170 |
URI: | http://hdl.handle.net/2445/18884 |
ISSN: | 1063-651X |
Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) |
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