Different Mechanism Effect between Gas-Solid and Liquid-Solid Interface on the Three-Phase Coexistence Hydrate System Dissociation in Seawater: A Molecular Dynamics Simulation Study
Different Mechanism Effect between Gas-Solid and Liquid-Solid Interface on the Three-Phase Coexistence Hydrate System Dissociation in Seawater: A Molecular Dynamics Simulation Study
复制标题
气固和液固界面对海水中三相共存水合物体系解离的不同机理影响：分子动力学模拟研究
DOI：
10.3390/en11010006
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发表时间：
2017-12
期刊：
影响因子：
3.2
通讯作者：
Jun Yao
中科院分区：
文献类型：
--
作者：
Zhixue Sun;Haoxuan Wang;Jun Yao
Almost 98% of methane hydrate is stored in the seawater environment, the study of microscopic mechanism for methane hydrate dissociation on the sea floor is of great significance to the development of hydrate production, involving a three-phase coexistence system of seawater (3.5% NaCl) + hydrate + methane gas. The molecular dynamics method is used to simulate the hydrate dissociation process. The dissociation of hydrate system depends on diffusion of methane molecules from partially open cages and a layer by layer breakdown of the closed cages. The presence of liquid or gas phases adjacent to the hydrate has an effect on the rate of hydrate dissociation. At the beginning of dissociation process, hydrate layers that are in contact with liquid phase dissociated faster than layers adjacent to the gas phase. As the dissociation continues, the thickness of water film near the hydrate-liquid interface became larger than the hydrate-gas interface giving more resistance to the hydrate dissociation. Dissociation rate of hydrate layers adjacent to gas phase gradually exceeds the dissociation rate of layers adjacent to the liquid phase. The difficulty of methane diffusion in the hydrate-liquid side also brings about change in dissociation rate.
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影响因子：
5.6
作者：
Luis DP;García-González A;Saint-Martin H
通讯作者：
Saint-Martin H
影响因子：
2.1
作者：
Chun-Yu Geng;Q. Han;H. Wen;Zhenyu Dai;Chun-hua Song
通讯作者：
Chun-Yu Geng;Q. Han;H. Wen;Zhenyu Dai;Chun-hua Song
影响因子：
15
作者：
Jacobson, Liam C.;Hujo, Waldemar;Molinero, Valeria
通讯作者：
Molinero, Valeria
DOI：
10.1021/jp077583k
发表时间：
2008-02
期刊：
The journal of physical chemistry. B
影响因子：
--
作者：
J. Vatamanu;P. Kusalik
通讯作者：
J. Vatamanu;P. Kusalik
影响因子：
3.7
作者：
L. Hakim;K. Koga;Hideki Tanaka
通讯作者：
L. Hakim;K. Koga;Hideki Tanaka