燃料化学学报（中英文）2023，Vol.51Issue(8)：1137-1144,中插1-中插3,11.DOI:10.1016/S1872-5813(23)60367-6
实验和密度泛函理论分析阿维菌素的热解机理
Analyzing the pyrolysis mechanism of avermectin via experiments and density functional theory
摘要
Abstract
In this study,the thermal degradation mechanism of avermectin(AVM)was analyzed via experiments and density functional theory calculations(DFT).The experimental results of AVMD pyrolysis indicated that the removal rate of AVM residues reached peak value of 99.88％ above 250℃.The main product of AVM pyrolysis was alcohols.Based on the C-O bonds breaking,four potential degradation pathways were proposed.The findings of the calculations were in agreement with those of the experiments.These results provide theoretical and empirical guidance for the development of safe antibiotic disposal technology.关键词
阿维菌素/阿维菌素菌渣/密度泛函理论/热解/机理Key words
avermectin/avermectin mycelial dreg/density functional theory/pyrolysis/degradation mechanism分类
环境科学引用本文复制引用
周浩,刘素香,赵保峰,王婧薇,关海滨,朱地,李欢,宋安刚..实验和密度泛函理论分析阿维菌素的热解机理[J].燃料化学学报（中英文）,2023,51(8):1137-1144,中插1-中插3,11.基金项目
The project was supported by the National Key R&D Program of China(2018YFE0106400),Natural Science Foundation of Shandong Province of China(ZR2019MEE069),"20 Colleges and Universities" of Jinan Science and Technology Bureau(202228123,2019GXRC046),Qilu University of Technology(Shandong Academy of Sciences)Science,Education and Industry Integration Innovation Pilot Project(2022GH010). （2018YFE0106400）
