Analysis of Decomposition for Structure I Methane Hydrate by Molecular Dynamics Simulation
- Autores: Wei N.1, Sun W.1, Meng Y.1, Liu A.2, Zhou S.3, Guo P.1, Fu Q.3, Lv X.4
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Afiliações:
- State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
- Geological Explorations and Development Institute
- CNOOC
- CNOOC Research Institutes
- Edição: Volume 92, Nº 5 (2018)
- Páginas: 840-846
- Seção: Chemical Thermodynamics and Thermochemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169986
- DOI: https://doi.org/10.1134/S0036024418050345
- ID: 169986
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Resumo
Under multi-nodes of temperatures and pressures, microscopic decomposition mechanisms of structure I methane hydrate in contact with bulk water molecules have been studied through LAMMPS software by molecular dynamics simulation. Simulation system consists of 482 methane molecules in hydrate and 3027 randomly distributed bulk water molecules. Through analyses of simulation results, decomposition number of hydrate cages, density of methane molecules, radial distribution function for oxygen atoms, mean square displacement and coefficient of diffusion of methane molecules have been studied. A significant result shows that structure I methane hydrate decomposes from hydrate-bulk water interface to hydrate interior. As temperature rises and pressure drops, the stabilization of hydrate will weaken, decomposition extent will go deep, and mean square displacement and coefficient of diffusion of methane molecules will increase. The studies can provide important meanings for the microscopic decomposition mechanisms analyses of methane hydrate.
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Sobre autores
Na Wei
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
Email: sunwantongswpu@163.com
República Popular da China, Chengdu, 610500
Wan-Tong Sun
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
Email: sunwantongswpu@163.com
República Popular da China, Chengdu, 610500
Ying-Feng Meng
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
Autor responsável pela correspondência
Email: sunwantongswpu@163.com
República Popular da China, Chengdu, 610500
An-Qi Liu
Geological Explorations and Development Institute
Email: sunwantongswpu@163.com
República Popular da China, Chengdu, 610500
Shou-Wei Zhou
CNOOC
Email: sunwantongswpu@163.com
República Popular da China, Beijing, 10010
Ping Guo
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
Email: sunwantongswpu@163.com
República Popular da China, Chengdu, 610500
Qiang Fu
CNOOC
Email: sunwantongswpu@163.com
República Popular da China, Beijing, 10010
Xin Lv
CNOOC Research Institutes
Email: sunwantongswpu@163.com
República Popular da China, Beijing, 10027