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	Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor
	Wan Li-Hua1,2,3; Yan Ke-Feng1,3; Li Xiao-Sen1,3; Fan Shuan-Shi4
刊名	Acta physico-chimica sinica
	2009-03-01
卷号	25期号:3页码:486-494
关键词	Gas hydrate Molecular dynamics Ethylene glycol solution Dissociation
ISSN号	1000-6818
DOI	10.3866/pku.whxb20090315
通讯作者	Li xiao-sen(lixs@ms.giec.ac.cn)
英文摘要	The dissociation of methane hydrate in the presence of ethylene glycol (11.45 mol.l-1) at 277.0 k was studied using canonical ensemble (nvt) molecular dynamics simulations. results show that hydrate dissociation starts from the surface layer of the solid hydrate and then gradually expands to the internal layer. thus, the solid structure gradually shrinks until it disappears. a distortion of the hydrate lattice structure occurs first and then the hydrate evolves from a fractured frame to a fractional fragment. finally, water molecules in the hydrate construction exist in the liquid state. the inner dissociating layer is, additionally, coated by a liquid film formed from outer dissociated water molecules outside. this film inhibits the mass transfer performance of the inner molecules during the hydrate dissociation process.
WOS关键词	ETHYLENE-GLYCOL ; CRYSTAL-STRUCTURE ; HEAT ; 2-AMINOETHANOL ; LIQUIDS
WOS研究方向	Chemistry
WOS类目	Chemistry, Physical
语种	英语
出版者	PEKING UNIV PRESS
WOS记录号	WOS:000264422200015
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2402110
专题	中国科学院大学
通讯作者	Li Xiao-Sen
作者单位	1.Chinese Acad Sci, Ctr Gas Hydrate res, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Peoples R China 4.S China Univ Technol, Key Lab Enhanced Heat Transfer & Energy Conservat, Minist Educ, Guangzhou 510640, Peoples R China
推荐引用方式 GB/T 7714	Wan Li-Hua,Yan Ke-Feng,Li Xiao-Sen,et al. Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor[J]. Acta physico-chimica sinica,2009,25(3):486-494.
APA	Wan Li-Hua,Yan Ke-Feng,Li Xiao-Sen,&Fan Shuan-Shi.(2009).Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor.Acta physico-chimica sinica,25(3),486-494.
MLA	Wan Li-Hua,et al."Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor".Acta physico-chimica sinica 25.3(2009):486-494.

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