半纤维素
动力学
热解
化学
机制(生物学)
动能
反应机理
有机化学
计算化学
化学工程
纤维素
催化作用
哲学
认识论
工程类
物理
量子力学
作者
Leandro Ayarde‐Henríquez,Jacopo Lupi,Stephen Dooley
摘要
. This analysis shows the decomposition kinetics are contingent on the functionalization specificities and the relative orientation of reacting centers. A relatively simple chemical reactivity and bonding analysis partially support the elaborated thermokinetic approach. These insights hold significance as they imply that many alternative decomposition routes can be quickly, yet accurately, informed in forthcoming explorations of potential energy surfaces of diverse hemicellulose motifs under pyrolysis conditions.
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