The roles of metallic compounds on dioxins generation-decomposition behavior from thermodynamics and quantum chemistry

Nagahiro Saito, Mituhito Hirota, Takahiro Ishizaki, Akio Fuwa

    研究成果: Conference contribution

    1 引用 (Scopus)

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    Owing to their extremely high toxicity in the environment, the dioxins have been attracting social, technical and scientific attention in recent years. The authors theoretically had predicted the thermodynamics properties of all the dioxins via quantum chemistry and statistical thermodynamics and elucidated the generation-decomposition behavior of dioxins in the equilibrium calculation of C-H-O-Cl system. In actual combustion processes, it is said that metallic compounds have much influence on the dioxins behavior. The aim of this study is to reveal the roles of metallic compounds the generation-decomposition behavior of dioxins is revealed from the viewpoints of quantum chemistry. Especially, the catalytic effect of copper has been investigated for the reaction, 2HCl(g)→H2(g)+Cl2(g) and for the etherification reaction from precursors, which is Phenol(g) here, to dioxins. The catalytic role of Cu is shown to have much influence on the generation -decomposition of dioxins.

    元の言語English
    ホスト出版物のタイトルProceedings of the Second International Conference on Processing Materials for Properties
    編集者B. Mishra, C, Yamauchi, B. Mishra, C. Yamauchi
    ページ727-732
    ページ数6
    出版物ステータスPublished - 2000
    イベントProceedings of the Second International Conference on Processing Materials for Properties - San Francisco, CA
    継続期間: 2000 11 52000 11 8

    Other

    OtherProceedings of the Second International Conference on Processing Materials for Properties
    San Francisco, CA
    期間00/11/500/11/8

    ASJC Scopus subject areas

    • Engineering(all)

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  • これを引用

    Saito, N., Hirota, M., Ishizaki, T., & Fuwa, A. (2000). The roles of metallic compounds on dioxins generation-decomposition behavior from thermodynamics and quantum chemistry. : B. Mishra, C. Yamauchi, B. Mishra, & C. Yamauchi (版), Proceedings of the Second International Conference on Processing Materials for Properties (pp. 727-732)