Molecular dynamics simulation of sI methane hydrate under compression and tension
Abstract Molecular dynamics (MD) analysis of methane hydrate is important for the application of methane hydrate technology. This study investigated the microstructure changes of sI methane hydrate and the laws of stress–strain evolution under the condition of compression and tension by using MD sim...
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2020
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Online Access: | http://dx.doi.org/10.1515/chem-2020-0008 https://www.degruyter.com/view/journals/chem/18/1/article-p69.xml https://www.degruyter.com/downloadpdf/journals/chem/18/1/article-p69.xml |
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crdegruyter:10.1515/chem-2020-0008 2024-05-19T07:43:51+00:00 Molecular dynamics simulation of sI methane hydrate under compression and tension Wang, Qiang Tang, Qizhong Tian, Sen 2020 http://dx.doi.org/10.1515/chem-2020-0008 https://www.degruyter.com/view/journals/chem/18/1/article-p69.xml https://www.degruyter.com/downloadpdf/journals/chem/18/1/article-p69.xml unknown Walter de Gruyter GmbH http://creativecommons.org/licenses/by/4.0 Open Chemistry volume 18, issue 1, page 69-76 ISSN 2391-5420 journal-article 2020 crdegruyter https://doi.org/10.1515/chem-2020-0008 2024-05-02T06:51:35Z Abstract Molecular dynamics (MD) analysis of methane hydrate is important for the application of methane hydrate technology. This study investigated the microstructure changes of sI methane hydrate and the laws of stress–strain evolution under the condition of compression and tension by using MD simulation. This study further explored the mechanical property and stability of sI methane hydrate under different stress states. Results showed that tensile and compressive failures produced an obvious size effect under a certain condition. At low temperature and high pressure, most of the clathrate hydrate maintained a stable structure in the tensile fracture process, during which only a small amount of unstable methane broke the structure, thereby, presenting a free-motion state. The methane hydrate cracked when the system reached the maximum stress in the loading process, in which the maximum compressive stress is larger than the tensile stress under the same experimental condition. This study provides a basis for understanding the microscopic stress characteristics of methane hydrate. Article in Journal/Newspaper Methane hydrate De Gruyter Open Chemistry 18 1 69 76 |
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Abstract Molecular dynamics (MD) analysis of methane hydrate is important for the application of methane hydrate technology. This study investigated the microstructure changes of sI methane hydrate and the laws of stress–strain evolution under the condition of compression and tension by using MD simulation. This study further explored the mechanical property and stability of sI methane hydrate under different stress states. Results showed that tensile and compressive failures produced an obvious size effect under a certain condition. At low temperature and high pressure, most of the clathrate hydrate maintained a stable structure in the tensile fracture process, during which only a small amount of unstable methane broke the structure, thereby, presenting a free-motion state. The methane hydrate cracked when the system reached the maximum stress in the loading process, in which the maximum compressive stress is larger than the tensile stress under the same experimental condition. This study provides a basis for understanding the microscopic stress characteristics of methane hydrate. |
format |
Article in Journal/Newspaper |
author |
Wang, Qiang Tang, Qizhong Tian, Sen |
spellingShingle |
Wang, Qiang Tang, Qizhong Tian, Sen Molecular dynamics simulation of sI methane hydrate under compression and tension |
author_facet |
Wang, Qiang Tang, Qizhong Tian, Sen |
author_sort |
Wang, Qiang |
title |
Molecular dynamics simulation of sI methane hydrate under compression and tension |
title_short |
Molecular dynamics simulation of sI methane hydrate under compression and tension |
title_full |
Molecular dynamics simulation of sI methane hydrate under compression and tension |
title_fullStr |
Molecular dynamics simulation of sI methane hydrate under compression and tension |
title_full_unstemmed |
Molecular dynamics simulation of sI methane hydrate under compression and tension |
title_sort |
molecular dynamics simulation of si methane hydrate under compression and tension |
publisher |
Walter de Gruyter GmbH |
publishDate |
2020 |
url |
http://dx.doi.org/10.1515/chem-2020-0008 https://www.degruyter.com/view/journals/chem/18/1/article-p69.xml https://www.degruyter.com/downloadpdf/journals/chem/18/1/article-p69.xml |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_source |
Open Chemistry volume 18, issue 1, page 69-76 ISSN 2391-5420 |
op_rights |
http://creativecommons.org/licenses/by/4.0 |
op_doi |
https://doi.org/10.1515/chem-2020-0008 |
container_title |
Open Chemistry |
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18 |
container_issue |
1 |
container_start_page |
69 |
op_container_end_page |
76 |
_version_ |
1799483609957007360 |