文献类型：期刊文献

英文题名：Mechanism investigation on the formation of olefins and paraffin from the thermochemical catalytic conversion of triglycerides catalyzed by alkali metal catalysts

作者：Long, Feng[1] Zhang, Xiaolei[3] Cao, Xincheng[1] Zhai, Qiaolong[1] Song, Yaoguang[3,4] Wang, Fei[1] Jiang, Jianchun[1,2] Xu, Junming[1,2]

第一作者：Long, Feng

通信作者：Xu, JM[1]

机构：[1]Chinese Acad Forestry, Inst Chem Ind Forest Prod, Key Lab Biomass Energy & Mat,Key Lab Chem Engn Fo, Natl Forestry & Grassland Adm,Natl Engn Lab Bioma, Nanjing 210042, Jiangsu, Peoples R China;[2]Nanjing Forestry Univ, Coinnovat Ctr Efficient Proc & Utilizat Forest Re, Nanjing 210037, Peoples R China;[3]Univ Strathclyde, Dept Chem & Proc Engn, Glasgow, Lanark, Scotland;[4]Queens Univ Belfast, QUILL Res Ctr, Sch Chem & Chem Engn, Belfast, Antrim, North Ireland

年份：2020

卷号：200

外文期刊名：FUEL PROCESSING TECHNOLOGY

收录：;EI(收录号：20195207901816);Scopus(收录号：2-s2.0-85076709853);WOS:【SCI-EXPANDED(收录号:WOS:000514024600008)】；

基金：Our work was supported by "National Nature Science Foundation of China" (Grant No. 31770612).

语种：英文

外文关键词：Thermochemical conversion mechanism; Activation energy; Bond dissociation energy; Alkali metal catalysis; Terminal olefins; Triglycerides

摘要：Triglycerides are a promising biomass feedstock that can be used for production of organic hydrocarbons including long-chain olefins and paraffin. The challenge for this production process lies on the lack of a clear mechanism of the conversion process. In this work, the conversion mechanism from triglycerides to olefins and paraffin using alkali metal catalysts was investigated adopting both computational calculations using density functional theory and experimental studies. The bond dissociation energies of the main bonds were calculated, especially for the alpha carbon-carbon bond, which leads to effective removal of carboxyl groups during the thermochemical conversion process. The dynamic behavior of triglycerides catalyzed by alkali metal catalysts was also investigated using thermogravimetric analysis, which found that Li ion has lowest activation energy below 200 kJ/mol when compared with the other alkali ions studied. The catalytic conversion mechanism was proposed in this work based on the results obtained from TG-IR, GC, GC MS and XRD analyses. The O atoms are removed in the form of CO, CO2 and H2O, product M + O and M+, which generates M2CO3. A more detailed mechanism has been proposed in this paper, which has significance toward guiding the cleavage of triglycerides to produce long-carbon-chain terminal olefins and normal paraffin.