加氢脱氧
愈创木酚
环戊酮
化学
催化作用
反应速率常数
铂金
空间速度
化学动力学
动力学
贵金属
热力学
有机化学
选择性
量子力学
物理
作者
Danni Gao,Yang Xiao,Arvind Varma
标识
DOI:10.1021/acs.iecr.5b02940
摘要
Guaiacol represents a large fraction of lignin derived pyrolysis bio-oils. It was shown in our prior work that Pt has higher activity and stability for guaiacol hydrodeoxygenation as compared to other noble metal catalysts. In the present study, further theoretical and experimental investigations were conducted to reveal the reaction pathways and kinetics. For Pt/C catalyst in a fixed-bed reactor, the main liquid phase reaction products were phenol, catechol and cyclopentanone. Because cyclopentanone was typically not observed in the prior literature, a pathway for its formation was proposed and supported by density functional theory (DFT) calculations. By varying the space velocity, kinetic data was acquired in the temperature range 275 to 325 °C. The rate constants and activation energies for each subreaction in the network were obtained based on the power-law model.
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