Adsorption of water molecules in slit pores

被引：45
|
作者：
Spohr, E
Trokhymchuk, A
Henderson, D
机构：
[1] Natl Autonomous Univ Mexico, Inst Quim, Mexico City 04510, DF, Mexico
[2] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA
[3] Univ Ulm, Abt Theoret Chem, D-89069 Ulm, Germany
[4] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, Lviv 11, Ukraine
来源：
JOURNAL OF ELECTROANALYTICAL CHEMISTRY | 1998年 / 450卷 / 02期
基金：
美国国家科学基金会;
关键词：
molecular dynamics; slit pores; water structure; surface force; adsorption; capillary condensation;
D O I：
10.1016/S0022-0728(97)00645-1
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
We report molecular dynamics (MD) simulations on the adsorption of water in attractive and repulsive slit pores, where the slit and a bulk region are in contact with each other. Water structure, surface force and adsorption behavior are investigated as a function of the overall density in the bulk region. The gas-liquid transition in both types of pores occurs at similar densities of the bulk region. (C) 1998 Elsevier Science S.A. All rights reserved.
引用
收藏
页码：281 / 287
页数：7
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