石炭科学会議発表論文集
Online ISSN : 2423-8309
Print ISSN : 2423-8295
ISSN-L : 2423-8295
第35回石炭科学会議
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2.石炭モデル化合物を用いた熱分解における架橋結合の生成反応の検討
加茂 徹畢 継誠小寺 洋一山口 宏佐藤 芳樹
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p. 11-14

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Dehydro reaction of 2,2'-diphenol (DP) and 2,2'-dihydroxyldiphenyl methane (DPM) were investigated under very low pressure in a range of temperature 500-1100C. 2,2'-diphenol was decomposed to dibenzofuran mainly more than 600C. However, in the reaction of DPM, benzene and phenol, produced by a simple bond rupture, were observed as main products. The experimental results imply that the dehydro reaction is sensitive to the structure of molecules. Potential energy surface of the reaction was calculated using ab-initio method (GAUSSIAN 94 and 98). Stabilization energy of hydrogen bond and activation energy of the dehydro reaction of DP were calculated to be 3kcal/mol and 54kcal/mol respectively.

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© 1998 一般社団法人 日本エネルギー学会
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