Molecular simulation of phase transitions in pores

被引:32
作者
Gubbins, KE
Sliwinska-Bartkowiak, M
Suh, SH
机构
[1] ADAM MICKIEWICZ UNIV POZNAN, INST FIZ, PL-60780 POZNAN, POLAND
[2] KEIMYUNG UNIV, DEPT CHEM ENGN, TAEGU 704701, SOUTH KOREA
基金
美国国家科学基金会;
关键词
phase transitions; pores; capillary condensation; layering transitions; melting; freezing; liquid-liquid equilibria;
D O I
10.1080/08927029608024116
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
Methods for simulating phase transitions in narrow pores are reviewed, and the advantages and disadvantages of different techniques are discussed. Examples are given of applications to vapor-liquid, liquid-liquid, melting and freezing, solid-solid and layering transitions. While there has been a considerable body of simulation work on vapor-liquid, wetting and layering transitions for simple fluids and pore geometries, much remains to be done on more complex geometries and network effects, on heterogeneous surfaces, and on liquid-liquid, melting and solid-solid transitions in pores.
引用
收藏
页码:333 / 367
页数:35
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