A Reducing Method of a Detailed Reaction Mechanism Based on the QSSA Method

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抄録

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.

収録刊行物

  • Journal of chemical engineering of Japan  

    Journal of chemical engineering of Japan 39(11), 1182-1190, 2006-11-01 

    The Society of Chemical Engineers, Japan

参考文献:  14件

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各種コード

  • NII論文ID(NAID)
    10018401692
  • NII書誌ID(NCID)
    AA00709658
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    00219592
  • NDL 記事登録ID
    8553583
  • NDL 雑誌分類
    ZP1(科学技術--化学・化学工業)
  • NDL 請求記号
    Z53-R395
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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