Multicomponent fluid of hard spheres near a wall.
Multicomponent fluid of hard spheres near a wall.
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靠近墙壁的硬球多组分流体。
DOI：
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发表时间：
2007
期刊：
影响因子：
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通讯作者：
M. López de Haro
中科院分区：
文献类型：
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作者：
A. Malijevský;S. B. Yuste;Andrés Santos;M. López de Haro
采用有理函数近似方法、密度泛函理论和NVT Monte Carlo模拟方法，得到了多组分硬球混合物在平面硬壁附近的密度分布。具体检查了尺寸比为1：3的二元混合物，其中两种组分占据相似的体积。结果表明，目前版本的密度泛函理论产生了良好的整体性能。一个合理的精确行为的有理函数逼近方法也观察到，除了在附近的第一个最小值，在那里它甚至可以预测非物理的负值。
The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio 1:3 in which both components occupy a similar volume are specifically examined. The results indicate that the present version of density functional theory yields an excellent overall performance. A reasonably accurate behavior of the rational function approximation method is also observed, except in the vicinity of the first minimum, where it may even predict unphysical negative values.