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Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution
其他题名过氧化氢水溶液作用下甲烷水合物分解特性的分子动力学模拟研究
Wan Lihua1,2; Yan Kefeng1,3; Li Xiaosen1,3; Huang Ningsheng1; Tang Liangguang1
2009-09-28
发表期刊ACTA CHIMICA SINICA
ISSN0567-7351
卷号67期号:18页码:2149-2154
通讯作者lixs@giec.ac.cn
摘要In this work, the characteristics of the decomposition of methane hydrate Structure I (SI) in the presence of hydrogen peroxide solution is investigated using the molecular dynamics simulation. The mechanism of the transformation process from the solid hydrate to the liquid is analyzed with the effect of hydrogen peroxide (HP) solution. In addition, the effect of ethylene glycol (EG) with the same molar concentration with HP on the methane hydrate dissociation is also studied. The results illustrate that both HP and EG promote well the hydrate dissociation. The work provides the important reference value for the experimental investigation into the promotion effect of HP on the hydrate dissociation.
文章类型Article
其他摘要In this work, the characteristics of the decomposition of methane hydrate Structure I (SI) in the presence of hydrogen peroxide solution is investigated using the molecular dynamics simulation. The mechanism of the transformation process from the solid hydrate to the liquid is analyzed with the effect of hydrogen peroxide (HP) solution. In addition, the effect of ethylene glycol (EG) with the same molar concentration with HP on the methane hydrate dissociation is also studied. The results illustrate that both HP and EG promote well the hydrate dissociation. The work provides the important reference value for the experimental investigation into the promotion effect of HP on the hydrate dissociation.
关键词Gas Hydrate Dissociation Hydrogen Peroxide Solution Molecular Dynamics Simulation
WOS标题词Science & Technology ; Physical Sciences
研究领域[WOS]Chemistry
URL查看原文
关键词[WOS]ETHYLENE-GLYCOL ; CRYSTAL-STRUCTURE ; GAS-PRODUCTION ; 2-AMINOETHANOL ; DISSOCIATION
收录类别SCI
语种英语
项目资助者国家自然科学基金(Nos20676133,20773133);国家高技术研究发展计划(No2006AA05Z319);中科院重大科研装备(NoYZ200717);中过科学院知识创新工程重要方向(NoKGCX2-YW-3X6);国家-广东省自然科学联合基金项目(NoU0733003);973计划(No2009CB219507)
WOS类目Chemistry, Multidisciplinary
WOS记录号WOS:000270999600016
引用统计
被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.giec.ac.cn/handle/344007/3298
专题中国科学院广州能源研究所
作者单位1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Ctr Gas Hydrate Res, Guangzhou 510640, Guangdong, Peoples R China
2.Chinese Acad Sci, China Grad Sch, Beijing 100039, Peoples R China
3.Chinese Acad Sci, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Guangdong, Peoples R China
第一作者单位中国科学院广州能源研究所
推荐引用方式
GB/T 7714
Wan Lihua,Yan Kefeng,Li Xiaosen,et al. Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution[J]. ACTA CHIMICA SINICA,2009,67(18):2149-2154.
APA Wan Lihua,Yan Kefeng,Li Xiaosen,Huang Ningsheng,&Tang Liangguang.(2009).Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution.ACTA CHIMICA SINICA,67(18),2149-2154.
MLA Wan Lihua,et al."Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution".ACTA CHIMICA SINICA 67.18(2009):2149-2154.
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