Sublimation phenomena in slit nanopores: Lennard-Jones phase diagram

被引：13

作者：

Kanda, H ^{[1
]}

Miyahara, M

Higashitani, K

机构：

[1] Cent Res Inst Elect Power Ind, Energy Engn Res Lab, Kanagawa 2400196, Japan

[2] Kyoto Univ, Dept Chem Engn, Kyoto 6158510, Japan

来源：

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

关键词：

vapor-solid equilibria; nanopore; phase transition; Lennard-Jones; molecular simulation;

D O I：

10.1007/s10450-005-5940-5

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：

Sublimation phenomena of Lennard-Jones fluids in slit-shaped nanopores were examined. Vapor-phase pressure at which a solid phase forms in a pore at a constant temperature is determined by the authors' molecular dynamics technique. The obtained phase-boundary pressure is remarkably lower than that of the bulk phase. A simple model of the sublimation is presented, which successfully predicts the molecular dynamics results with no adjustable parameter. Thus, a whole Lennard-Jones phase diagram in slit-shaped nanopores can now be predicted.

引用

页码：295 / 299

页数：5

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