Mechanism study on pyrolysis of lignin model compound catalyzed by phosphoric acid

被引：0

作者：

Jiang, Xiaoyan ^{[1
]}

Lu, Qiang ^{[1
]}

Chu, Huaqiang ^{[2
]}

Hu, Bin ^{[1
]}

Liu, Ji ^{[1
]}

Dong, Changqing ^{[1
]}

机构：

[1] National Engineering Laboratory for Biomass Power Generation Equipment, North China Electric Power University, Beijing,102206, China

[2] School of Energy and Environment, Anhui University of Technology, Maanshan,243002, China

来源：

Taiyangneng Xuebao/Acta Energiae Solaris Sinica | 2020年 / 41卷 / 02期

关键词：

Pyrolysis;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Density functional theory calculations and Py-GC/MS (pyrolysis-gas chromatography/mass spectrometry) experiments are conducted to reveal the influence of phosphoric acid on the pyrolysis process of β-O-4 type lignin dimer model compound phenethyl phenyl ether (PPE). The calculation results indicate that phosphoric acid will combine with PPE through hydrogen bond to form H3PO4-PPE complex and affect its pyrolysis reactions. In the non-catalytic pyrolysis process, PPE mainly decomposes through Cβ-O bond and Cα-Cβ bond homolytic reactions and concerted decomposition reactions (retro-ene fragmentation and Maccoll elimination reactions). Under the H3PO4-catalyzed pyrolysis condition, the energy barriers of Cβ-O bond and Cα-Cβ bond homolytic reactions will increase, while the energy barriers of the above two concerted decomposition reactions will decrease. Simultaneously, a unique concerted decomposition reaction will occur, which is superior to Cβ-O bond and Cα-Cβ bond homolytic reactions, retro-ene fragmentation reaction and Maccoll elimination reaction. The experimental results verify that phosphoric acid can promote the concerted decomposition reactions of PPE while inhibit the homolytic reactions, which agrees well with the calculation results. © 2020, Solar Energy Periodical Office Co., Ltd. All right reserved.

引用

页码：6 / 12