Quantum Chemical Mechanism of Heterogeneous Reaction between Trichlorosilane and Adsorbed Water
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概要
- 論文の詳細を見る
We investigated the reaction mechanism of the HCl elimination process of trichlorosilane with adsorbed water in the gas phase by ab initio quantum chemical calculations. The energy barrier in HCl elimination falls to 0.21 kcal/mol with two water molecules. However, in the mechanisms without loss of H2O molecules, the activation energy in successive HCl elimination has been estimated to be at least 33.87 kcal/mol. Our results show that the surface reactions on the steel-use-stainless filter are indispensable for obtaining the result that HCl is generated with a very small amount of H2O in the apparatus.
- INSTITUTE OF PURE AND APPLIED PHYSICSの論文
- 2003-07-15
著者
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Tachibana Akitomo
Department Of Engineering Physics And Mechanics Kyoto University
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MASUSAKI Hiroshi
NIPPON SANSO Corp. Tsukuba Laboratory
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MATSUMOTO Koh
NIPPON SANSO Corp. Tsukuba Laboratory
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Makita Toshiki
Department Of Engineering Physics And Mechanics Kyoto University
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Ishihara Yoshio
Nippon Sanso Corp. Tsukuba Laboratory
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Nakamura Koichi
Department Of Clinical Pharmacology And Therapeutics Oita University Faculty Of Medicine
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Matsumoto Koh
NIPPON SANSO Corp. Tsukuba Laboratory, Tsukuba 300-2611, Japan
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Masusaki Hiroshi
NIPPON SANSO Corp. Tsukuba Laboratory, Tsukuba 300-2611, Japan
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Ishihara Yoshio
NIPPON SANSO Corp. Tsukuba Laboratory, Tsukuba 300-2611, Japan
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Makita Toshiki
Department of Engineering Physics and Mechanics, Kyoto University, Kyoto 606-8501, Japan
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Nakamura Koichi
Department of Engineering Physics and Mechanics, Kyoto University, Kyoto 606-8501, Japan
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Tachibana Akitomo
Department of Engineering Physics and Mechanics, Kyoto University, Kyoto 606-8501, Japan
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Nakamura Koichi
Department of Chemistry, Faculty of Science, Hokkaido University
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