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Quantum Molecular Dynamics Simulation of Guest Molecules in Gas Hydrate |
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AIP Conference Proceedings,
Volume 708,
Issue 1,
1904,
Page 797-798
D. Matsumoto,
T. Ida,
N. Kato,
M. Mizuno,
K. Endo,
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摘要:
We performed molecular dynamics simulation on methane, ethane and carbon dioxide hydrate. It was found that in the small cage the methane and ethane are moving near the center of the cavity, while carbon dioxide exists apart from the center of the cavity. We also evaluated the stretching vibrational spectra of the methane in both cages. The calculated spectra are in considerably good agreement with experimental results. © 2004 American Institute of Physics
ISSN:0094-243X
DOI:10.1063/1.1764312
出版商:AIP
年代:1904
数据来源: AIP
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262. |
Dendritic Side Branching Structure of CML model |
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AIP Conference Proceedings,
Volume 708,
Issue 1,
1904,
Page 799-800
Masako Ohtaki,
Haruo Honjo,
Hidetsugu Sakaguchi,
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PDF (271KB)
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摘要:
We suppose the dendrite has three regions along the crystal surface from the tip. (1) The stable region, (2) The competition region, (3) The regular interval region . We divided (2) The competition region into three more with Coupled Map Lattice (CML) model without external noise. © 2004 American Institute of Physics
ISSN:0094-243X
DOI:10.1063/1.1764313
出版商:AIP
年代:1904
数据来源: AIP
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