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A Theoretical Study on Levoglucosan Pyrolysis Reactions Yielding Aldehydes and a Ketone in Biomass

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概要 Cellulose composes most of domestic, industrial, and agricultural wastes, forest products and indigenous plant materials valued as biomass resources. The immensity of these materials should be a drivi...ng force to efficiently exhaust them as energy sources and, in effect, offset environmental impact of wastes. This study focuses on the pyrolysis reactions of cellulose as a main component in biomass through thermal degradation of levoglucosan . an intermediate crucial to the formation of char and other products. Theoretical calculations involving DFT and MP2 methods were employed to investigate molecular and activation energies as well as verify proposed reaction mechanisms in cellulose pyrolysis. The differences between the calculated proposed structures are illustrated.続きを見る

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登録日 2009.04.22
更新日 2017.03.10