Low-temperature oxidation of propene in a supercritical jet-stirred reactor up to 100 atm

Bowen Mei, Ziyu Wang, Aditya Dilip Lele, Yiguang Ju, Pascal Diévart

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In this work, the propene oxidation is experimentally studied by using a supercritical pressure jet-stirred reactor (SP-JSR) at 10 and 100 atm, over a temperature range of 600-950 K, at fuel lean and rich conditions. A negative temperature coefficient (NTC) region is found under 100 atm at fuel rich condition, which doesn’t exist in atmospheric pressure condition. Furthermore, OH addition to propene is found to be the dominant pathway under 100 atm. However, the following O2 addition reactions are not complete in previous propene models. Thus, theoretical calculations are performed to determine the rate constants of two hydroxypropyl radicals related reactions. The updated model shows improvement but still fails to capture the NTC behavior. The possible reasons might be the uncertainties of the initiation reactions and the missing pathways of important intermediates under 100 atm. Reaction pathway analysis is performed under 10 atm, 925 K and 100 atm 725 K. It is found that under 100 atm, the main consumption pathway is OH addition to form hydroxypropyl radicals and they will go through O2 addition to give ROO radicals. The ROO radical is not stable and will decompose to acetaldehyde and formaldehyde and OH, also, it will form three-membered ring species. However, under 10 atm, H-abstraction of propene to form allyl radical dominants propene oxidation.

Original languageEnglish (US)
Title of host publicationAIAA SciTech Forum and Exposition, 2024
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
ISBN (Print)9781624107115
DOIs
StatePublished - 2024
EventAIAA SciTech Forum and Exposition, 2024 - Orlando, United States
Duration: Jan 8 2024Jan 12 2024

Publication series

NameAIAA SciTech Forum and Exposition, 2024

Conference

ConferenceAIAA SciTech Forum and Exposition, 2024
Country/TerritoryUnited States
CityOrlando
Period1/8/241/12/24

All Science Journal Classification (ASJC) codes

  • Aerospace Engineering

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