Freezing of mixtures confined in a slit nanopore

被引：31

作者：

Coasne, B ^{[1
]}

Czwartos, J

Gubbins, KE

Hung, FR

Sliwinska-Bartkowiak, M

机构：

[1] N Carolina State Univ, Dept Chem Engn, Raleigh, NC 27695 USA

[2] Adam Mickiewicz Univ, Inst Phys, PL-61614 Poznan, Poland

来源：

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY | 2005年 / 11卷 / Suppl 1期

关键词：

freezing; mixture; molecular simulation; confinement; solid-liquid phase diagram;

D O I：

10.1007/s10450-005-5941-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report a Grand Canonical Monte Carlo study of the freezing/melting of Lennard-Jones A/B mixtures confined in a slit pore (H = 1.44 nm). The fluid/fluid interactions are chosen to model A = Ar and B = Kr. Fluid/wall interaction parameters are chosen so that the ratio of the wall/fluid to the fluid/fluid interactions for Kr and Ar is larger and smaller than 1, respectively. We find that the phase diagram of the confined mixture is of the same type than that for the bulk. The freezing temperature of confined mixtures rich in Kr is larger than the bulk. In contrast, we observe a decrease of the freezing temperature for mixtures rich in Ar. The confined crystal has a hexagonal structure (triangular symmetry), except for pure At where a square structure is observed.

引用

页码：301 / 306

页数：6