Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study
Understandingthe phase behavior and stability of nanoconfined natural gas hydrates is of great importance not only for fundamental clathrate research but also for practical applications of gas hydrates. In this study, we synthesized methane hydrate within a layered double hydroxide (LDH) powder samp...
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ftsmithonian:oai:figshare.com:article/14372037 2023-05-15T17:11:52+02:00 Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study Sanya Du (10525737) Xiaomin Han (304447) Liang Zheng (206933) Shijun Qin (8531952) Muhammad Arif (769250) Dongpeng Yan (1438297) Xiaohui Yu (303050) Hui Li (32376) 2021-04-05T00:00:00Z https://doi.org/10.1021/acs.jpcc.0c11507.s001 unknown https://figshare.com/articles/journal_contribution/Synthesis_and_Phase_Behavior_of_Methane_Hydrate_in_a_Layered_Double_Hydroxide_An_Experimental_and_Molecular_Dynamics_Simulation_Study/14372037 doi:10.1021/acs.jpcc.0c11507.s001 CC BY-NC 4.0 CC-BY-NC Cell Biology Biotechnology Evolutionary Biology Ecology Sociology Inorganic Chemistry Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified gas hydrates LDH XRD Layered Double Hydroxide MD nanoconfined methane hydrates surface charge density 5 12 6 2 cages Molecular Dynamics Simulation Study. Text Journal contribution 2021 ftsmithonian https://doi.org/10.1021/acs.jpcc.0c11507.s001 2021-04-11T15:25:06Z Understandingthe phase behavior and stability of nanoconfined natural gas hydrates is of great importance not only for fundamental clathrate research but also for practical applications of gas hydrates. In this study, we synthesized methane hydrate within a layered double hydroxide (LDH) powder sample. X-ray diffraction (XRD) analysis demonstrated that structure I (sI)-type methane clathrate hydrate was formed in the non-interlamellar voids of the LDH. Both the measured P – T equilibrium curves and atomistic molecular dynamics (MD) simulations showed that the confined clathrate hydrate had lower stability and more severe formation conditions (lower melting temperature at the same pressure) than its bulk form. Furthermore, Raman spectra showed that the confined hydrate had significantly lower methane occupancy in its large 5 12 6 2 cages. In conclusion, nanoconfinement and a high surface charge density strongly inhibit the phase behavior of methane hydrates formed in LDH. These results provide important information for potential applications of nanoconfined methane hydrates, such as gas storage, as well as for the exploitation of gas hydrates in sediments. Other Non-Article Part of Journal/Newspaper Methane hydrate Unknown |
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topic |
Cell Biology Biotechnology Evolutionary Biology Ecology Sociology Inorganic Chemistry Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified gas hydrates LDH XRD Layered Double Hydroxide MD nanoconfined methane hydrates surface charge density 5 12 6 2 cages Molecular Dynamics Simulation Study. |
spellingShingle |
Cell Biology Biotechnology Evolutionary Biology Ecology Sociology Inorganic Chemistry Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified gas hydrates LDH XRD Layered Double Hydroxide MD nanoconfined methane hydrates surface charge density 5 12 6 2 cages Molecular Dynamics Simulation Study. Sanya Du (10525737) Xiaomin Han (304447) Liang Zheng (206933) Shijun Qin (8531952) Muhammad Arif (769250) Dongpeng Yan (1438297) Xiaohui Yu (303050) Hui Li (32376) Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study |
topic_facet |
Cell Biology Biotechnology Evolutionary Biology Ecology Sociology Inorganic Chemistry Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified gas hydrates LDH XRD Layered Double Hydroxide MD nanoconfined methane hydrates surface charge density 5 12 6 2 cages Molecular Dynamics Simulation Study. |
description |
Understandingthe phase behavior and stability of nanoconfined natural gas hydrates is of great importance not only for fundamental clathrate research but also for practical applications of gas hydrates. In this study, we synthesized methane hydrate within a layered double hydroxide (LDH) powder sample. X-ray diffraction (XRD) analysis demonstrated that structure I (sI)-type methane clathrate hydrate was formed in the non-interlamellar voids of the LDH. Both the measured P – T equilibrium curves and atomistic molecular dynamics (MD) simulations showed that the confined clathrate hydrate had lower stability and more severe formation conditions (lower melting temperature at the same pressure) than its bulk form. Furthermore, Raman spectra showed that the confined hydrate had significantly lower methane occupancy in its large 5 12 6 2 cages. In conclusion, nanoconfinement and a high surface charge density strongly inhibit the phase behavior of methane hydrates formed in LDH. These results provide important information for potential applications of nanoconfined methane hydrates, such as gas storage, as well as for the exploitation of gas hydrates in sediments. |
format |
Other Non-Article Part of Journal/Newspaper |
author |
Sanya Du (10525737) Xiaomin Han (304447) Liang Zheng (206933) Shijun Qin (8531952) Muhammad Arif (769250) Dongpeng Yan (1438297) Xiaohui Yu (303050) Hui Li (32376) |
author_facet |
Sanya Du (10525737) Xiaomin Han (304447) Liang Zheng (206933) Shijun Qin (8531952) Muhammad Arif (769250) Dongpeng Yan (1438297) Xiaohui Yu (303050) Hui Li (32376) |
author_sort |
Sanya Du (10525737) |
title |
Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study |
title_short |
Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study |
title_full |
Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study |
title_fullStr |
Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study |
title_full_unstemmed |
Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study |
title_sort |
synthesis and phase behavior of methane hydrate in a layered double hydroxide: an experimental and molecular dynamics simulation study |
publishDate |
2021 |
url |
https://doi.org/10.1021/acs.jpcc.0c11507.s001 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_relation |
https://figshare.com/articles/journal_contribution/Synthesis_and_Phase_Behavior_of_Methane_Hydrate_in_a_Layered_Double_Hydroxide_An_Experimental_and_Molecular_Dynamics_Simulation_Study/14372037 doi:10.1021/acs.jpcc.0c11507.s001 |
op_rights |
CC BY-NC 4.0 |
op_rightsnorm |
CC-BY-NC |
op_doi |
https://doi.org/10.1021/acs.jpcc.0c11507.s001 |
_version_ |
1766068623831465984 |