Communication: Structural interconversions between principal clathrate hydrate structures
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 interconvers...
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ftchacadsciegiec:oai:ir.giec.ac.cn:344007/10527 2023-05-15T17:11:45+02:00 Communication: Structural interconversions between principal clathrate hydrate structures Liang, Shuai Kusalik, Peter G. 2015-07-07 http://ir.giec.ac.cn/handle/344007/10527 https://doi.org/10.1063/1.4923465 英语 eng JOURNAL OF CHEMICAL PHYSICS http://ir.giec.ac.cn/handle/344007/10527 doi:10.1063/1.4923465 Science & Technology Physical Sciences Physics METHANE HYDRATE CROSS-NUCLEATION ICE TEMPERATURE PRESSURE WATER TRANSFORMATIONS CRYSTALLIZATION MECHANISM SILICA Atomic Molecular & Chemical Article 期刊论文 2015 ftchacadsciegiec https://doi.org/10.1063/1.4923465 2022-09-23T14:12:25Z 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. Article in Journal/Newspaper Methane hydrate Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences: GIEC OpenIR The Journal of Chemical Physics 143 1 011102 |
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Open Polar |
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Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences: GIEC OpenIR |
op_collection_id |
ftchacadsciegiec |
language |
English |
topic |
Science & Technology Physical Sciences Physics METHANE HYDRATE CROSS-NUCLEATION ICE TEMPERATURE PRESSURE WATER TRANSFORMATIONS CRYSTALLIZATION MECHANISM SILICA Atomic Molecular & Chemical |
spellingShingle |
Science & Technology Physical Sciences Physics METHANE HYDRATE CROSS-NUCLEATION ICE TEMPERATURE PRESSURE WATER TRANSFORMATIONS CRYSTALLIZATION MECHANISM SILICA Atomic Molecular & Chemical Liang, Shuai Kusalik, Peter G. Communication: Structural interconversions between principal clathrate hydrate structures |
topic_facet |
Science & Technology Physical Sciences Physics METHANE HYDRATE CROSS-NUCLEATION ICE TEMPERATURE PRESSURE WATER TRANSFORMATIONS CRYSTALLIZATION MECHANISM SILICA Atomic Molecular & Chemical |
description |
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. |
format |
Article in Journal/Newspaper |
author |
Liang, Shuai Kusalik, Peter G. |
author_facet |
Liang, Shuai Kusalik, Peter G. |
author_sort |
Liang, Shuai |
title |
Communication: Structural interconversions between principal clathrate hydrate structures |
title_short |
Communication: Structural interconversions between principal clathrate hydrate structures |
title_full |
Communication: Structural interconversions between principal clathrate hydrate structures |
title_fullStr |
Communication: Structural interconversions between principal clathrate hydrate structures |
title_full_unstemmed |
Communication: Structural interconversions between principal clathrate hydrate structures |
title_sort |
communication: structural interconversions between principal clathrate hydrate structures |
publishDate |
2015 |
url |
http://ir.giec.ac.cn/handle/344007/10527 https://doi.org/10.1063/1.4923465 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_relation |
JOURNAL OF CHEMICAL PHYSICS http://ir.giec.ac.cn/handle/344007/10527 doi:10.1063/1.4923465 |
op_doi |
https://doi.org/10.1063/1.4923465 |
container_title |
The Journal of Chemical Physics |
container_volume |
143 |
container_issue |
1 |
container_start_page |
011102 |
_version_ |
1766068513931264000 |