Molecular dynamics simulation of sI methane hydrate under compression and tension
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....
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ftunivqespace:oai:espace.library.uq.edu.au:UQ:90be1f2 2023-05-15T17:11:05+02:00 Molecular dynamics simulation of sI methane hydrate under compression and tension Wang, Qiang Tang, Qizhong Tian, Sen 2020-01-01 https://espace.library.uq.edu.au/view/UQ:90be1f2 eng eng Sciendo doi:10.1515/chem-2020-0008 issn:2391-5420 issn:1895-1066 51904040 51874055 cstc2018jcyjAX0522 17zx7161 17LZXT05 IRT_17R112 cx2018071 Hydrate deformation Methane hydrate Molecular dynamics Molecular simulation 1600 Chemistry 2505 Materials Chemistry Journal Article 2020 ftunivqespace https://doi.org/10.1515/chem-2020-0008 2020-12-08T08:11:48Z 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 The University of Queensland: UQ eSpace Open Chemistry 18 1 69 76 |
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Open Polar |
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The University of Queensland: UQ eSpace |
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ftunivqespace |
language |
English |
topic |
Hydrate deformation Methane hydrate Molecular dynamics Molecular simulation 1600 Chemistry 2505 Materials Chemistry |
spellingShingle |
Hydrate deformation Methane hydrate Molecular dynamics Molecular simulation 1600 Chemistry 2505 Materials Chemistry Wang, Qiang Tang, Qizhong Tian, Sen Molecular dynamics simulation of sI methane hydrate under compression and tension |
topic_facet |
Hydrate deformation Methane hydrate Molecular dynamics Molecular simulation 1600 Chemistry 2505 Materials Chemistry |
description |
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 |
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 |
Sciendo |
publishDate |
2020 |
url |
https://espace.library.uq.edu.au/view/UQ:90be1f2 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_relation |
doi:10.1515/chem-2020-0008 issn:2391-5420 issn:1895-1066 51904040 51874055 cstc2018jcyjAX0522 17zx7161 17LZXT05 IRT_17R112 cx2018071 |
op_doi |
https://doi.org/10.1515/chem-2020-0008 |
container_title |
Open Chemistry |
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18 |
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1 |
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69 |
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76 |
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1766067938339586048 |