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Communication: Structural interconversions between principal clathrate hydrate structures
Liang, Shuai1; Kusalik, Peter G.2
2015-07-07
发表期刊JOURNAL OF CHEMICAL PHYSICS
卷号143期号:1
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.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
DOI10.1063/1.4923465
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类目Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000357873900003
引用统计
文献类型期刊论文
条目标识符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
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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).
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