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Original Articles

Molecular Simulations of Phase Transitions in Pores

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Pages 333-367 | Received 01 Dec 1995, Accepted 01 Apr 1996, Published online: 23 Sep 2006
 

Abstract

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.

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