A Reducing Method of a Detailed Reaction Mechanism Based on the QSSA Method
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- Shoji Masakazu
- Department of Chemical Engineering, Tohoku University
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- Morozumi Yoshio
- Department of Chemical Engineering, Tohoku University
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- Aoki Hideyuki
- Department of Chemical Engineering, Tohoku University
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- Miura Takatoshi
- Department of Chemical Engineering, Tohoku University
Bibliographic Information
- Other Title
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- Reducing Method of a Detailed Reaction Mechanism Based on the QSSA Method
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Abstract
A reducing method for a detailed reaction mechanism is presented. In the reducing procedure, a reduced mechanism is systematically constructed in three steps by using the parameters obtained in the computation of reaction kinetics. The reducing method is applied to the reduction of the detailed mechanism for NO formation from the oxidation of pyridine. The calculated results with the reduced mechanism obtained by the present method are in good agreement with those obtained by the detailed mechanism. The computational time is significantly shorter than that with the detailed mechanism, although the computational time for the reaction kinetics with the reduced mechanism by the present method is larger than that using the conventional method. Furthermore, the computational time required for the construction of the reduced mechanism by the present method is about one tenth of that required by the conventional method. Therefore, the present reducing method is a powerful tool for the construction of the reduced mechanism.
Journal
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- JOURNAL OF CHEMICAL ENGINEERING OF JAPAN
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JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 39 (11), 1182-1190, 2006
The Society of Chemical Engineers, Japan
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Details 詳細情報について
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- CRID
- 1390282679544084864
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- NII Article ID
- 10018401692
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- NII Book ID
- AA00709658
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- ISSN
- 18811299
- 00219592
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- NDL BIB ID
- 8553583
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed