Phase equilibria of water in cylindrical nanopores

被引:58
作者
Brovchenko, I
Geiger, A [1 ]
Oleinikova, A
机构
[1] Univ Dortmund, D-44221 Dortmund, Germany
[2] Ruhr Univ Bochum, D-44780 Bochum, Germany
关键词
D O I
10.1039/b100922m
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
Phase equilibria of water in cylindrical nanopores were simulated in the Gibbs ensemble. The decrease of the critical temperature in the confinement compared to the bulk value attains 35% in the pores with radius R-c=12 Angstrom. The shape of the coexistence curve changes strongly with an increasing water-substrate interaction. This is found to be the result of a crossover from 3D surface to 2D behaviour in the surface layer. At the strongest water-substrate interactions of our study up to 3 coexistence curves are observed due to layering transitions.
引用
收藏
页码:1567 / 1569
页数:3
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