期刊
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
卷 121, 期 -, 页码 75-83出版社
ELSEVIER
DOI: 10.1016/j.jaap.2016.07.004
关键词
Renewable fuel; Biomass; EPR; Spin trapping; Theoretical calculations
资金
- National Science Foundation [CBET 1330311]
- Super fund Research Program [2P42ES013648-03]
- RJ Reynolds' Tobacco Company
- Div Of Chem, Bioeng, Env, & Transp Sys
- Directorate For Engineering [1330311] Funding Source: National Science Foundation
The experimental results on detection and identification of intermediate radicals and molecular products from gas-phase pyrolysis of cinnamyl alcohol (CnA), the simplest non-phenolic lignin model compound, over the temperature range of 400-800 degrees C are reported. The low temperature matrix isolation - electron paramagnetic resonance (LTMI-EPR) experiments along with the theoretical calculations, provided evidences on the generation of the intermediate carbon and oxygen centered as well as oxygen-linked, conjugated radicals. A mechanistic analysis is performed based on density functional theory to explain formation of the major products from CnA pyrolysis; cinnamaldehyde, indene, styrene, benzaldehyde, 1-propynyl benzene, and 2-propenyl benzene. The evaluated bond dissociation patterns and unimolecular decomposition pathways involve dehydrogenation, dehydration, 1,3-sigmatropic H migration, 1,2-hydrogen shift, C-O and C-C bond cleavage processes. Published by Elsevier B.V.
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