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Unraveling Mixed Hydrate Formation: Microscopic Insights into Early Stage Behavior

文献类型：期刊论文

作者Hall, Kyle Wm.1; Zhang, Zhengcai2; Kusalik, Peter G.1
刊名JOURNAL OF PHYSICAL CHEMISTRY B
出版日期2016-12-29
卷号120期号:51页码:13218-13223
ISSN号1520-6106
DOI10.1021/acs.jpcb.6b11961
文献子类Article
英文摘要The molecular-level details of mixed hydrate nucleation remain unclear despite the broad implications of this process for a variety of scientific domains. Through analysis of mixed hydrate nucleation in a prototypical CH4/H2S/H2O system, we demonstrate that high-level kinetic similarities between mixed hydrate systems and corresponding pure hydrate systems are not a reliable basis for estimating the composition of early stage mixed hydrate nuclei. Moreover, we show that solution compositions prior to and during nucleation are not necessarily effective proxies for the composition of early stage mixed hydrate nuclei. Rather, microscopic details, (e.g., guest host interactions and previously neglected cage types) apparently play key roles in determining early stage behavior of mixed hydrates. This work thus provides key foundational concepts and insights for understanding mixed hydrate nucleation.
WOS关键词MOLECULAR-DYNAMICS SIMULATIONS ; METHANE HYDRATE ; HOMOGENEOUS NUCLEATION ; HYDROGEN-SULFIDE ; CARBON-DIOXIDE ; N-BUTANE ; SOLUBILITY ; WATER ; DIFFUSION ; PATHWAYS
WOS研究方向Chemistry
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:000391160300023
资助机构National Natural Science Foundation of China(41372059) ; Natural Sciences and Engineering Research Council of Canada(RGPIN-2016-03845) ; Alberta Innovation and Science ; Alberta Innovates Technology Futures (AITF) ; Canada Foundation for Innovation (CFI) ; NSERC Vanier CGS Program ; University of Calgary ; National Natural Science Foundation of China(41372059) ; Natural Sciences and Engineering Research Council of Canada(RGPIN-2016-03845) ; Alberta Innovation and Science ; Alberta Innovates Technology Futures (AITF) ; Canada Foundation for Innovation (CFI) ; NSERC Vanier CGS Program ; University of Calgary ; National Natural Science Foundation of China(41372059) ; Natural Sciences and Engineering Research Council of Canada(RGPIN-2016-03845) ; Alberta Innovation and Science ; Alberta Innovates Technology Futures (AITF) ; Canada Foundation for Innovation (CFI) ; NSERC Vanier CGS Program ; University of Calgary ; National Natural Science Foundation of China(41372059) ; Natural Sciences and Engineering Research Council of Canada(RGPIN-2016-03845) ; Alberta Innovation and Science ; Alberta Innovates Technology Futures (AITF) ; Canada Foundation for Innovation (CFI) ; NSERC Vanier CGS Program ; University of Calgary
源URL[http://ir.iggcas.ac.cn/handle/132A11/44659]  
专题地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者Kusalik, Peter G.
作者单位1.Univ Calgary, Dept Chem, 2500 Univ Dr NW, Calgary, AB T2N 1N4, Canada
2.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China
推荐引用方式
GB/T 7714		 Hall, Kyle Wm.,Zhang, Zhengcai,Kusalik, Peter G.. Unraveling Mixed Hydrate Formation: Microscopic Insights into Early Stage Behavior[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2016,120(51):13218-13223.
APA Hall, Kyle Wm.,Zhang, Zhengcai,&Kusalik, Peter G..(2016).Unraveling Mixed Hydrate Formation: Microscopic Insights into Early Stage Behavior.JOURNAL OF PHYSICAL CHEMISTRY B,120(51),13218-13223.
MLA Hall, Kyle Wm.,et al."Unraveling Mixed Hydrate Formation: Microscopic Insights into Early Stage Behavior".JOURNAL OF PHYSICAL CHEMISTRY B 120.51(2016):13218-13223.

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来源：地质与地球物理研究所

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