Exploration on Thermal Decomposition of Cyclopentanone: A Flow Reactor Pyrolysis and Kinetic Modeling Study

Wei Li, Lili Ye, Qilong Fang, Jiabiao Zou, Jiuzhong Yang, Yuyang Li*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Pyrolysis of cyclopentanone was investigated in a flow reactor at temperatures of 875-1428 K and pressures of 0.04 and 1 atm. Dozens of pyrolysis products including isomers, radicals, and aromatics were detected using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Among them, two groups of keto-enol tautomers were observed; one is cyclopentanone and 1-cyclopentenol, and the other one is 1,4-cyclopentadien-1-ol, 2-cyclopeten-1-one and 3-cyclopeten-1-one. A detailed kinetic model of cyclopentanone was also developed with the consideration of the theoretical progress of key reactions in this work and in the literature. Based on the experimental and simulated results, the main consumption pathways of cyclopentanone and main formation pathways of critical products were explored. Special attention has been paid to the mole fraction ratios of CO-to-fuel and ethylene-to-CO, as CO and ethylene are two of the most abundant primary decomposition products. In addition, the successive decomposition of the diradical produced from the Cβ-Cγbond dissociation reaction of cyclopentanone was found to be crucial to the formation of C3species. The recombination of these unsaturated small species also accounts for the abundant formation of 1,3-cyclopentadiene and aromatic species in cyclopentanone pyrolysis.

Original languageEnglish (US)
Pages (from-to)14023-14034
Number of pages12
JournalEnergy and Fuels
Volume35
Issue number17
DOIs
StatePublished - Sep 2 2021

Bibliographical note

Funding Information:
The research was supported by the National Key R&D Program of China (2017YFE0123100) and National Natural Science Foundation of China (91841301, U1832171).

Publisher Copyright:
© 2021 American Chemical Society.

ASJC Scopus subject areas

  • General Chemical Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology

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