典型文献
Mechanistic Insights into the Catalytic Cracking of Cyclohexane
文献摘要：
Although naphthenes have long been identified as important feedstock components for the production of light olefins and aromatics in fluid catalytic cracking units,their cacking mechanism and microscopic reaction networks,such as activation modes,ring-opening paths,and the production of aromatics,remain debated.In this context,we reported experimental and computational work aimed at elucidating the reaction network of naphthenes in fluid catalytic cracking using cyclohexane as the model naphthene.First,the main reactions for the formation of highly selective and value-added products such as light olefins and aromatics were discussed.Then,the proportions of cyclohexane activation via(i)the non-classical carbonium mechanism and(ii)the classical carbenium mechanism were analyzed by data fitting methods,which revealed that around 32.6％of cyclohexane was initiated by path(i),and the remaining naphthene was activated by path(ii).Moreover,our DFT results showed that the ring opening of cyclohexane through pathway(i)was more difficult than that through path(ii),and ring opening followed by the ring contraction of cyclohexane carbenium ions was the most energetically favorable route among the different ring-opening ways.
文献关键词：
中图分类号：
作者姓名：
Chen Hui;Yan Jiasong;Su Youyou;Wei Xueer;Li Rui;Wang Peng;Yu Shanqing;Dai Zhenyu
作者机构：
College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005,China;SINOPEC Research Institute of Petroleum Processing Co.,Ltd.,Beijing 100083,China
文献出处：
引用格式：
[1]Chen Hui;Yan Jiasong;Su Youyou;Wei Xueer;Li Rui;Wang Peng;Yu Shanqing;Dai Zhenyu-.Mechanistic Insights into the Catalytic Cracking of Cyclohexane)[J].中国炼油与石油化工（英文版）,2022(04):12-20
A类：
Cyclohexane,naphthenes,cacking,naphthene,carbonium
B类：
Mechanistic,Insights,into,Catalytic,Cracking,Although,have,long,been,identified,important,feedstock,components,production,light,olefins,aromatics,fluid,catalytic,cracking,units,their,mechanism,microscopic,networks,such,activation,modes,ring,opening,paths,debated,this,context,reported,experimental,computational,aimed,elucidating,using,cyclohexane,model,First,reactions,formation,highly,selective,value,added,products,were,discussed,Then,proportions,via,classical,ii,carbenium,analyzed,by,data,fitting,methods,which,revealed,that,around,was,initiated,remaining,activated,Moreover,our,DFT,results,showed,through,pathway,more,difficult,than,followed,contraction,most,energetically,favorable,route,among,different,ways
AB值：
0.516225
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