GROWTH AND STRUCTURE OF AMORPHOUS ICE CONDENSATES - A COMPUTATIONAL STUDY .2.

被引:56
作者
BUCH, V
机构
[1] Department of Chemistry, University of Illinois at Chicago, Box 4348, Chicago
关键词
D O I
10.1063/1.461886
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
Investigation is presented of the static and the dynamic properties of an amorphous cluster (H2O)450 at T almost-equal-to 10 K. The cluster was obtained in a simulation of slow condensation of gaseous water molecules, and is used here to obtain insights into molecular properties of low temperature amorphous ice deposits. The cluster is shown to contain a substantial fraction of molecules of hydrogen bond coordination less than 4. Low coordinated configurations are formed during condensation in a highly selective fashion, i.e., some configurations are strongly favored over others. Condensation dynamics is investigated, in an effort to clarify a link between molecular mechanisms of condensation and the resulting metastable structure. Physical reason is suggested for the experimentally measured very large surface area of the amorphous ice deposits.
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收藏
页码:3814 / 3823
页数:10
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