Communication: Structural interconversions between principal clathrate hydrate structures

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	Communication: Structural interconversions between principal clathrate hydrate structures
	Liang, Shuai 1; Kusalik, Peter G.2
刊名	journal of chemical physics
	2015-07-07
卷号	143 期号:1
英文摘要	gas clathrate hydrates formed with most gases belong to three common and well characterized crystalline structures known as si, sii, and sh, although molecular mechanisms for their structural interconversions have remained poorly understood. here, we present potential mechanisms for the interconversions between si and sh and sii and sh, as observed within molecular simulations of the cross-nucleation of different methane hydrate phases. we find that a 4(1)5(10)6(2) cage intermediates the structural interconversion between si and sh, while a sii crystal can form on a sh template directly. these structural interconversion pathways emphasize the diversity of possible clathrate hydrate phases characterized by a variety of tetrahedrally hydrogen-bonded structures. (c) 2015 aip publishing llc.
WOS标题词	science & technology ; physical sciences
类目[WOS]	physics, atomic, molecular & chemical
研究领域[WOS]	physics
关键词[WOS]	methane hydrate ; cross-nucleation ; ice ; temperature ; pressure ; water ; transformations ; crystallization ; mechanism ; silica
收录类别	SCI
语种	英语
WOS记录号	WOS:000357873900003
内容类型	期刊论文
源URL	[http://ir.giec.ac.cn/handle/344007/10527]
专题	中国科学院广州能源研究所
作者单位	1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Gas Hydrate, Guangzhou, Guangdong, Peoples R China 2.Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada
推荐引用方式 GB/T 7714	Liang, Shuai,Kusalik, Peter G.. Communication: Structural interconversions between principal clathrate hydrate structures[J]. journal of chemical physics,2015,143(1).
APA	Liang, Shuai,&Kusalik, Peter G..(2015).Communication: Structural interconversions between principal clathrate hydrate structures.journal of chemical physics,143(1).
MLA	Liang, Shuai,et al."Communication: Structural interconversions between principal clathrate hydrate structures".journal of chemical physics 143.1(2015).