Comparison between methanol and formaldehyde adsorption on ice: a molecular dynamics study

被引：37

作者：

Collignon, B ^{[1
]}

Picaud, S ^{[1
]}

机构：

[1] Univ Franche Comte, Fac Sci, CNRS, UMR 6624,Lab Phys Mol, F-25030 Besancon, France

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 393卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2004.06.085

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：

The adsorption characteristics of methanol and formaldehyde molecules on an ice Ih(0 0 0 1) proton disordered crystal surface are compared on the basis of classical molecular dynamics simulations at 210 and 250 K. More specifically, the saturation coverage, the configurations of the molecules in their adsorption sites and the corresponding adsorption energies have been determined. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：457 / 463

页数：7

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