异构化
左旋葡糖
化学
乙二醛
纤维素
热解
激进的
有机化学
乙醇醛
碳氢化合物
反应机理
丙烯醛
动力学
光化学
催化作用
物理
气溶胶
量子力学
生物质燃烧
作者
Asuka Fukutome,Hiroyuki Kawamoto,Shiro Saka
标识
DOI:10.1016/j.jaap.2016.12.010
摘要
Molecular mechanisms for the gas-phase degradation of levoglucosan, the major intermediate in cellulose gasification, were studied by kinetic analysis at 550–700 °C (residence time: 0.11–0.45 s), and a mixed mechanism including heterolysis and radical chain reactions is suggested. Density functional theory calculations indicated that one of the cyclic Grob reactions can proceed (Ea 57.4 kcal mol−1), which is supported by the selective formation of acrolein and glyoxal at 500 °C. Nevertheless, contributions of these heterolytic reactions were suggested to be smaller than radical chain reactions, which would proceed via the C- and O-centered radicals. Influences of the bicyclic ring and the hydrocarbon/oxygenated gas selectivity are also discussed. These results provide insights into the upgrading of the gasification processes of cellulosic biomass.
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