| Title | Pyrolysis mechanism of beta-O-4 type lignin model dimer |
| Authors | Chen, Lei Ye, Xiaoning Luo, Feixian Shao, Jingai Lu, Qiang Fang, Yang Wang, Xianhua Chen, Hanping |
| Affiliation | Huazhong Univ Sci & Technol, State Key Lab Coal Combust, Wuhan 430074, Hubei, Peoples R China. North China Elect Power Univ, Natl Engn Lab Biomass Power Generat Equipment, Beijing 102206, Peoples R China. Peking Univ, BNLMS, Beijing 100871, Peoples R China. Peking Univ, Minist Educ, Coll Chem, Key Lab Bioorgan Chem & Mol Engn, Beijing 100871, Peoples R China. Peking Univ, Green Chem Ctr, Beijing 100871, Peoples R China. |
| Keywords | Lignin dimer Py-GC/MS Density functional theory Pyrolysis mechanism PHENETHYL PHENYL ETHERS BOND-DISSOCIATION ENTHALPIES CLEAVAGE MECHANISMS METAL-OXIDES CELLULOSE LINKAGES POLYMERS GUAIACOL BIOMASS |
| Issue Date | 2015 |
| Publisher | JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS |
| Citation | JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS.2015,115,103-111. |
| Abstract | A beta-O-4 type lignin dimer compound was synthesized, namely 1-(4-methoxyphenyI)-2-(2-methoxyphenoxy) ethanol. To elucidate its pyrolysis mechanism, analytical pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) experiments were performed to reveal the distribution of the pyrolytic products under different temperatures. Concurrently, density functional theory (DFT) calculations were conducted to analyze and verify the thermal decomposition mechanisms of the lignin dimer and the product formation pathways. The results show that the lignin dimer will undergo the C beta-O bond homolysis to produce 4-methoxystyrene and guaiacol at low pyrolysis temperatures. Whereas at medium pyrolysis temperatures, besides the C beta-O homolysis, C beta-O concerted decomposition will also take place to form carbonyl-containing phenolics. At high pyrolysis temperatures, the primary pyrolytic products will undergo secondary decomposition reactions to form a complex variety of products. With the combination of the experimental results and theoretical calculations, the pyrolysis mechanism of the lignin dimer model compound is clearly interpreted in this study. (C) 2015 Elsevier B.V. All rights reserved. |
| URI | http://hdl.handle.net/20.500.11897/416509 |
| ISSN | 0165-2370 |
| DOI | 10.1016/j.jaap.2015.07.009 |
| Indexed | SCI(E) |
| Appears in Collections: | å å¦ä¸ å å å·¥ç¨ å¦é ¢ 生物有机与分子工程教育部重点实验室 |
