New Mechanistic Insights into the Lignin βO4 Linkage Acidolysis with Ethylene Glycol Stabilization Aided by Multilevel Computational Chemistry历年考研英语分数线
期刊名称： ACS Sustainable Chemistry And Engineering
年份： 2021年
期号： 第5期
关键词： NEB profiles;reaction mechanism;ReaxFF Molecular Dynamics;model
compounds;acidolysis;Ligninbipap
mhl摘要：Acidolysis in conjunctionwith stabilization of reactive intermediateshas emerged as one of the most powerful methods of lignin depolymerizationthat
冬天衣服搭配
sgu>户口本翻译模板leads to high aromatic monomer yields. In particular, stabilizationof reactive
avoid是什么意思
金山词霸2007aldehydes using ethylene glycol results in the lectiveformation of the
75gaocorresponding cyclic acetals (1,3-dioxolane derivatives)from model compounds,weipeng
lignin, and even from softwood lignocellulo.Given the high practical utility of this method for future biorefineries,a deeper understanding of the method is desired.
Here, we aim to elucidatekey mechanistic questions utilizing a combination of
experimentaland multilevel computational approaches. The multiscale
computationalprotocol ud, bad on ReaxFF molecular dynamics, reprents a realisticscenario, where a typical experimental tup can
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