Diffusion of nitrogen gas in ice Ih

被引：20

作者：

Ikeda-Fukazawa, T

Kawamura, K

Hondoh, T

机构：

[1] Japan Sci & Technol Agcy, PRESTO, Inst Stat Math, Minato Ku, Tokyo 1068569, Japan

[2] Hokkaido Univ, Inst Low Temp Sci, Sapporo, Hokkaido 0600819, Japan

[3] Tokyo Inst Technol, Dept Earth & Planetary Sci, Tokyo 1528551, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 385卷 / 5-6期

基金：

日本科学技术振兴机构;

关键词：

D O I：

10.1016/j.cplett.2004.01.021

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：

Diffusion of N-2 in ice crystal has been found from Raman scattering of the natural ice from the Antarctic ice sheet. In order to investigate the diffusion mechanism, we perform molecular dynamics simulations of diffusion of N-2 in ice. The results show that the N-2 molecule hops in the crystal by breaking hydrogen bonds in the ice lattice. The diffusion velocity with the mechanism is few orders larger than the estimate under the assumption of the interstitial mechanism. We conclude that the localized vibrational motion of N-2 is the dominant factor governing the diffusion mechanism. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：467 / 471

页数：5

共 24 条

[11] Effect of guest-host interaction on Raman spectrum of a CO2 clathrate hydrate single crystal [J].