"Radicals and molecular products from the gas-phase pyrolysis of lignin" by Lavrent Khachatryan, Meng-Xia Xu et al.

Faculty Publications

Title

Radicals and molecular products from the gas-phase pyrolysis of lignin model compounds. Cinnamyl alcohol

Authors

Lavrent Khachatryan, Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USA.
Meng-Xia Xu, Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USA.
Ang-Jian Wu, State Key Laboratory of Clean Energy Utilization, Institute for Thermal Power Engineering, Zhejiang University, Hangzhou 310027, China.
Mikhail Pechagin, Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, NY 14260, USA.
Rubik Asatryan, Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, NY 14260, USA.

Document Type

Article

Publication Date

9-1-2016

Abstract

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 °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.

Publication Source (Journal or Book title)

Journal of analytical and applied pyrolysis

First Page

Last Page

Recommended Citation

Khachatryan, L., Xu, M., Wu, A., Pechagin, M., & Asatryan, R. (2016). Radicals and molecular products from the gas-phase pyrolysis of lignin model compounds. Cinnamyl alcohol. Journal of analytical and applied pyrolysis, 121, 75-83. https://doi.org/10.1016/j.jaap.2016.07.004

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