IGGCAS OpenIR  > 油气资源研究院重点实验室
Might a 2,2-Dimethylbutane Molecule Serve as a Site to Promote Gas Hydrate Nucleation?
Zhang, Zhengcai1,2; Kusalik, Peter G.3; Guo, Guang-Jun2,4,5
2019-08-22
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume123Issue:33Pages:20579-20586
AbstractCrystallization is relevant to many disciplines, and the control of crystallization of molecules is of importance to a great range of technological applications. It has been well established that a variety of surfaces can serve as possible nucleation sites for heterogeneous crystallization. However, it is still unknown what features of such system may be crucial and whether just a single molecule might serve as a nucleation site for crystallization. Therefore, to probe this question, we have investigated the nucleation of a prototypical multicomponent crystal, clathrate hydrates. As multicomponent crystalline compounds, clathrate hydrates have drawn considerable attention because of their scientific and industrial importance. Clathrate hydrates can occur in several possible structures, where the size of guest molecules and their ability to fit into water cages is a crucial factor. Despite the fact that in most applications, for example in oil-gas pipelines, clathrate hydrates form from gas mixtures that feature a variety of sizes of guest molecules, the possible roles of these species in hydrate formation has remained essentially unexplored. Herein, we investigate the impact of the presence of 2,2-dimethylbutane (DMB) on the nucleation of methane hydrate. Our simulation results provide clear evidence that DMB can serve as a nucleation site and can promote the formation of methane hydrates. The low mobility of the DMB molecule, and the longer residence time and hydrate-like structure of water molecules in its hydration shell appear as important contributors to its behavior. These results demonstrate that the presence of a somewhat larger hydrocarbon in low concentration can significantly impact hydrate nucleation and hence have immediate impact in, for example, flow assurance in oil-gas pipelines. More generally, the results presented herein indicate that single molecules in an otherwise homogeneous solution can promote crystal nucleation by stabilizing early stage structural fluctuations in the liquid.
DOI10.1021/acs.jpcc.9b04518
Funding OrganizationIGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; IGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; IGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; IGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship
WOS KeywordMETHANE HYDRATE ; DYNAMICS SIMULATIONS ; HOMOGENEOUS NUCLEATION ; HYDROGEN STORAGE ; AQUEOUS METHANE ; ICE NUCLEATION ; INSIGHTS ; GROWTH ; ENERGY ; MODEL
Language英语
Funding ProjectIGGCAS[SZJJ201901] ; National Natural Science Foundation of China[41602038] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB10020301] ; Natural Sciences and Engineering Research Council of Canada[RGPIN-2016-03845] ; Wenner-Gren Foundation Fellowship
Funding OrganizationIGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; IGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; IGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; IGGCAS ; IGGCAS ; IGGCAS ; IGGCAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship ; Wenner-Gren Foundation Fellowship
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000482545700055
PublisherAMER CHEMICAL SOC
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iggcas.ac.cn/handle/132A11/93576
Collection油气资源研究院重点实验室
地球与行星物理院重点实验室
Corresponding AuthorGuo, Guang-Jun
Affiliation1.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Petr Resource Res, Beijing 100029, Peoples R China
2.Chinese Acad Sci, Inst Earth Sci, Beijing 100029, Peoples R China
3.Univ Calgary, Dept Chem, 2500 Univ Dr NW, Calgary, AB T2N 1N4, Canada
4.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China
5.Univ Chinese Acad Sci, Coll Earth & Planetary Sci, Beijing 100049, Peoples R China
First Author AffilicationInstitute of Geology and Geophysics, Chinese Academy of Sciences
Corresponding Author AffilicationInstitute of Geology and Geophysics, Chinese Academy of Sciences
Recommended Citation
GB/T 7714
Zhang, Zhengcai,Kusalik, Peter G.,Guo, Guang-Jun. Might a 2,2-Dimethylbutane Molecule Serve as a Site to Promote Gas Hydrate Nucleation?[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2019,123(33):20579-20586.
APA Zhang, Zhengcai,Kusalik, Peter G.,&Guo, Guang-Jun.(2019).Might a 2,2-Dimethylbutane Molecule Serve as a Site to Promote Gas Hydrate Nucleation?.JOURNAL OF PHYSICAL CHEMISTRY C,123(33),20579-20586.
MLA Zhang, Zhengcai,et al."Might a 2,2-Dimethylbutane Molecule Serve as a Site to Promote Gas Hydrate Nucleation?".JOURNAL OF PHYSICAL CHEMISTRY C 123.33(2019):20579-20586.
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