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Molecular Insights into the Homogeneous Melting of Methane Hydrates
Liang, Shuai; Yi, Lizhi; Liang, Deqing
2014-12-11
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
卷号118期号:49页码:28542-28547
摘要Although the melting of gas hydrates tends to be heterogeneous in most cases, in principle, this process can also be homogeneous when surface melting is properly inhibited. In this work, we investigated the molecular mechanisms of the homogeneous melting of superheated methane hydrates by means of molecular dynamics simulations. The homogeneous melting processes were found to be stochastic with varied induction times. We observed the formation of structural defects within the hydrogen-bonded water lattices of hydrate crystals during the induction times. The methane molecules were found to be relatively more stable within the gas hydrate phases, which might be responsible for the high stability of the superheated metastable methane hydrates. Although the melting processes involve the collective motion of water and methane molecules, the current work suggests that the migration and aggregation of methane molecules are critical in initiating the homogeneous melting of gas hydrate crystals.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
DOI10.1021/jp511362s
研究领域[WOS]Chemistry ; Science & Technology - Other Topics ; Materials Science
关键词[WOS]DYNAMICS SIMULATIONS ; ANOMALOUS PRESERVATION ; ORIENTATIONAL DEFECTS ; CARBON-DIOXIDE ; DISSOCIATION ; ICE ; NUCLEATION ; CLATHRATE ; WATER ; HYDROGEN
收录类别SCI
语种英语
WOS类目Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号WOS:000346321700025
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文献类型期刊论文
条目标识符http://ir.giec.ac.cn/handle/344007/10760
专题中国科学院广州能源研究所
作者单位Chinese Acad Sci, Key Lab Gas Hydrate, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China
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Liang, Shuai,Yi, Lizhi,Liang, Deqing. Molecular Insights into the Homogeneous Melting of Methane Hydrates[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(49):28542-28547.
APA Liang, Shuai,Yi, Lizhi,&Liang, Deqing.(2014).Molecular Insights into the Homogeneous Melting of Methane Hydrates.JOURNAL OF PHYSICAL CHEMISTRY C,118(49),28542-28547.
MLA Liang, Shuai,et al."Molecular Insights into the Homogeneous Melting of Methane Hydrates".JOURNAL OF PHYSICAL CHEMISTRY C 118.49(2014):28542-28547.
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