Title:
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Self and cross-velocity correlation functions and diffusion coefficients in liquids: a molecular dynamics study of binary mixtures of soft spheres
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Author:
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Trullàs Simó, Joaquim; Padró i Cárdenas, Joan Àngel
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Other authors:
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Universitat de Barcelona |
Abstract:
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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. |
Subject(s):
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-Cristal·lografia -Propietats de la matèria -Crystallography -Properties of matter |
Rights:
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(c) American Physical Society, 1994
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Document type:
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Article Article - Published version |
Published by:
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The American Physical Society
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