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Communication: Structural interconversions between principal clathrate hydrate structures
Liang, Shuai1; Kusalik, Peter G.2
2015-07-07
Source PublicationJOURNAL OF CHEMICAL PHYSICS
Volume143Issue:1
AbstractGas 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.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1063/1.4923465
WOS Subject ExtendedPhysics
WOS KeywordMETHANE HYDRATE ; CROSS-NUCLEATION ; ICE ; TEMPERATURE ; PRESSURE ; WATER ; TRANSFORMATIONS ; CRYSTALLIZATION ; MECHANISM ; SILICA
Indexed BySCI
Language英语
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS IDWOS:000357873900003
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/10527
Collection中国科学院广州能源研究所
Affiliation1.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
Recommended Citation
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).
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