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 被引用数 (Scopus)

抄録

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.

本文言語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
出版ステータスPublished - 2000 12 1
外部発表はい
イベントProceedings of the Second International Conference on Processing Materials for Properties - San Francisco, CA, United States
継続期間: 2000 11 52000 11 8

出版物シリーズ

名前Proceedings of the Second International Conference on Processing Materials for Properties

Conference

ConferenceProceedings of the Second International Conference on Processing Materials for Properties
国/地域United States
CitySan Francisco, CA
Period00/11/500/11/8

ASJC Scopus subject areas

  • 工学(全般)

フィンガープリント

「The roles of metallic compounds on dioxins generation-decomposition behavior from thermodynamics and quantum chemistry」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル