Molecular Simulation on Transport Properties of Confined Water

被引：0

作者：

Ying Chun LIU

机构：

来源：

Chinese Chemical Letters | 2004年 / 07期

关键词：

Micropore; transport property; molecular dynamics simulation;

D O I：

暂无

中图分类号：

TQ021 [基础理论];

学科分类号：

081701 ; 081704 ;

摘要：

The diffusivity and viscosity of water confined in micropores were studied by molecular dynamics simulations. The effects of pore width and density were analyzed at pore widths from 0.9 to 2.6 nm. The diffusivity in micropores is lower than that of the bulk, and it decreases as pore width decreases and as density increases. But the viscosity in micropores is much larger than that of the bulk, and it increases as pore width decreases and as density increases. The diffusivity in channel parallel direction is obviously larger than that in channel perpendicular directions.

引用

页码：879 / 882

页数：4