Population inversion of a NAHS mixture adsorbed into a cylindrical pore
Population inversion of a NAHS mixture adsorbed into a cylindrical pore
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吸附到圆柱形孔中的 NAHS 混合物的粒子数反转
DOI：
10.1021/jp805678v
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发表时间：
2007
期刊：
影响因子：
--
通讯作者：
M. Lozada
中科院分区：
文献类型：
--
作者：
F. Jiménez;Yurko Duda;G. Odriozola;M. Lozada
利用积分方程理论和Monte Carlo模拟方法研究了圆柱形纳米孔在非加性硬球二元流体中的运动。据发现，在低和中间值的堆积的总的数密度的更集中的散装物种优先被吸收的孔，如预期的。然而，体积数密度的进一步增加导致在受限流体中的突然的粒子数反转和在孔的外壁处的熵驱动的预润湿转变。这些现象是一个功能的孔径，非加性参数，堆积数密度，和颗粒相对数分数。我们讨论了我们的结果在散装相分离。
A cylindrical nanopore immersed in a non-additive hard sphere binary fluid is studied by means of integral equation theories and Monte Carlo simulations. It is found that at low and intermediate values of the bulk total number density the more concentrated bulk species is preferentially absorbed by the pore, as expected. However, further increments of the bulk number density lead to an abrupt population inversion in the confined fluid and an entropy driven prewetting transition at the outside wall of the pore. These phenomena are a function of the pore size, the non-additivity parameter, the bulk number density, and particles relative number fraction. We discuss our results in relation to the phase separation in the bulk.