Experimental and theoretical research on catalytic synthesis of thiophene from furan and H2S

Brazilian Journal of Chemical Engineering

Hu Song-qing²  Yuan Jian-ye¹  Shi Xin¹  Guo Ai-ling²  Hu Jian-chun¹ 

[1] ,China University of Petroleum College of Physics Science and Technology Dongying Shandong PR ,China

关键词: Furan;    Thiophene synthesis;    Supported catalyst;    Density functional theory;   

DOI  :  10.1590/S0104-66322011000100012

来源: SciELO

【 摘 要 】

The yield of thiophene from furan and H2S was investigated using selected catalyst carriers (alumina, active carbon and silica gel) and active ingredients (silicotungstic, phosphomolybdic and phosphotungstic acids) to obtain the optimized synthesis parameters. The experimental results indicated that the yield of thiophene reached a maximum when the supported catalyst was alumina and the active ingredient was phosphotungstic acid. Furthermore, the reaction mechanism of the optimized reactive system was studied by the density functional theory (DFT) method. The calculated energy profile indicated that there were four transition states in the reaction process.

【 授权许可】

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