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Volumn 113, Issue 14, 2009, Pages 4790-4798

Anisotropy in growth kinetics of tetrahydrofuran clathrate hydrate: A molecular dynamics study

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BIOACTIVITY; DISSOLUTION; DYNAMICS; GROWTH KINETICS; HYDRATION; MOLECULAR DYNAMICS; MOLECULES;

EID: 65249096742     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810041t     Document Type: Article
Times cited : (36)

References (41)
  • 12
    • 84906371569 scopus 로고    scopus 로고
    • In the case that the gas is hydrogen, H2 molecules are included in both large and small cages of THF clathrates
    • In the case that the gas is hydrogen, H2 molecules are included in both large and small cages of THF clathrates.
  • 18
    • 84870726202 scopus 로고    scopus 로고
    • Molecular Simulation; Academic Press
    • Frenkel, D.; Smit, B. Understanding Molecular Simulation; Academic Press: 1996.
    • (1996) Understanding
    • Frenkel, D.1    Smit, B.2
  • 21
    • 0033909968 scopus 로고    scopus 로고
    • Rodger, P. M. In Gas Hydrate: Challenges for the Future; Holder, G. D., Bishnoi, P. R., Eds.; Ann. N. Y. Acad. Sci. 2000, 912, 474.
    • Rodger, P. M. In Gas Hydrate: Challenges for the Future; Holder, G. D., Bishnoi, P. R., Eds.; Ann. N. Y. Acad. Sci. 2000, 912, 474.
  • 33
    • 84906399921 scopus 로고    scopus 로고
    • Strictly speaking, the structures of the R and - layers were the same. Both layers contained 12 THF molecules. In this study, 12 empty small cages, which were placed between THF molecular planes of the R and - layers, were defined to be included in the - layer. The R layer was defined as a thin layer containing 12 THF molecules atop the γ layer, and the - layer was defined as a thin layer containing 12 THF molecules and 12 empty small cage sites atop the R layer. According to those definitions, growth of those divided layers was defined to occur in sequence of the R, - and γ layers on the upper clathrate interface in Figure 2c and in sequence of γ, R, and - layers on the lower clathrate interface in Figure 2c.
    • Strictly speaking, the structures of the R and - layers were the same. Both layers contained 12 THF molecules. In this study, 12 empty small cages, which were placed between THF molecular planes of the R and - layers, were defined to be included in the - layer. The R layer was defined as a thin layer containing 12 THF molecules atop the γ layer, and the - layer was defined as a thin layer containing 12 THF molecules and 12 empty small cage sites atop the R layer. According to those definitions, growth of those divided layers was defined to occur in sequence of the R, - and γ layers on the upper clathrate interface in Figure 2c and in sequence of γ, R, and - layers on the lower clathrate interface in Figure 2c.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.