Experimental and kinetic modeling study on flow reactor pyrolysis of iso-pentanol: Understanding of iso-pentanol pyrolysis chemistry and fuel isomeric effects of pentanol

Chuangchuang Cao, Yan Zhang, Xiaoyuan Zhang, Jiabiao Zou, Fei Qi, Yuyang Li*, Jiuzhong Yang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Flow reactor pyrolysis of iso-pentanol was conducted at 30 and 760 torr using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Pyrolysis products, especially radicals and enols, were identified and quantified. Olefins and oxygenated products (mainly aldehyde and enol) were found to be the two major product families in the pyrolysis of iso-pentanol. A kinetic model of iso-pentanol pyrolysis was developed and validated against the new experimental data. The rate of production (ROP) analysis and sensitivity analysis were conducted to understand the pyrolysis chemistry of iso-pentanol. The contribution of unimolecular decomposition reactions to the consumption of iso-pentanol is far less than that of H abstraction reactions at both pressures, which is similar to the situation in 2-methyl-1-butanol pyrolysis, but different from that in n-pentanol pyrolysis. Fuel isomeric effects on the pyrolysis chemistry of pentanol isomers were also investigated. Mole fraction profiles of fuels and major products were measured for other two typical pentanol isomers, i.e. n-pentanol and 2-methyl-1-butanol under the same pyrolysis conditions, while our previous models of n-pentanol and 2-methyl-1-butanol were used for the simulation. The initial decomposition temperatures of two branched pentanol isomers are slightly lower than that of n-pentanol at both pressures. The branched fuel structures strongly influence the molecular structures and formation pathways of fuel decomposition products such as C4 and C5 olefins, as well as the formation of benzene and fulvene.

Original languageEnglish (US)
Article number116039
JournalFuel
Volume257
DOIs
StatePublished - Dec 1 2019

Bibliographical note

Funding Information:
Authors are grateful for the funding supports from National Natural Science Foundation of China ( 51622605 , 91541201 , 91641205 , U1832171 ), National Key R&D Program of China ( 2017YFE0123100 ) and Shanghai Science and Technology Committee (No. 17XD1402000 ).

Publisher Copyright:
© 2019

Keywords

  • Flow reactor pyrolysis
  • Fuel isomeric effects
  • Iso-pentanol
  • Kinetic model
  • SVUV-PIMS

ASJC Scopus subject areas

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

Fingerprint

Dive into the research topics of 'Experimental and kinetic modeling study on flow reactor pyrolysis of iso-pentanol: Understanding of iso-pentanol pyrolysis chemistry and fuel isomeric effects of pentanol'. Together they form a unique fingerprint.

Cite this