Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution

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	Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution
	Wan Lihua1,2 ; Yan Kefeng1,3 ; Li Xiaosen1,3 ; Huang Ningsheng 1; Tang Liangguang 1
刊名	acta chimica sinica
	2009-09-28
卷号	67 期号:18 页码:2149-2154
关键词	gas hydrate dissociation hydrogen peroxide solution molecular dynamics simulation
ISSN号	0567-7351
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
通讯作者	lixs@giec.ac.cn
中文摘要	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.
英文摘要	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.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	ethylene-glycol ; crystal-structure ; gas-production ; 2-aminoethanol ; dissociation
收录类别	SCI
资助信息	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)
原文出处	http://dlib.cnki.net/kns50/navi/item.aspx?naviid=1&baseid=hxxb&navilink=%e5%8c%96%e5%ad%a6%e5%ad%a6%e6%8a%a5
语种	英语
WOS记录号	WOS:000270999600016
公开日期	2010-09-16
附注	采用分子动力学模拟方法研究过氧化氢水(hp)溶液作用下结构i型(si)甲烷水合物晶体分解特性.系统分析甲烷水合物在过氧化氢水溶液作用下由晶态向液态转变过程的机理,对比相同摩尔浓度乙二醇(eg)溶液作用下甲烷水合物分解变化规律,得出hp与水合物热力学抑制剂eg一样对甲烷水合物分解具有促进作用,为hp溶液促进甲烷水合物分解实验研究提供参考.
内容类型	期刊论文
源URL	[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
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.