A Chemical Kinetic Investigation on Butyl Formate Oxidation: Ab Initio Calculations and Experiments in a Jet-Stirred Reactor

Zaras, Aristotelis M.; Szőri, Milan; Thion, Sébastien; Van Cauwenberghe, Pierre; Deguillaume, Fiona; Serinyel, Zeynep; Dayma, Guillaume; Dagaut, Philippe;
  • Publisher: Figshare
  • Related identifiers: doi: 10.1021/acs.energyfuels.7b00686.s001, doi: 10.1021/acs.energyfuels.7b00686.s002
  • Subject: Molecular Biology | hydrogen abstraction reactions | Inorganic Chemistry | BF | Developmental Biology | Microbiology | oxidation | Jet-Stirred Reactor Biofuels | jet-stirred reactor | unimolecular decomposition reactions | Butyl Formate Oxidation | hydrogen transfer reactions | Ab Initio Calculations | TST | combustion | butyl formate radicals | butyl formate | Biochemistry | OH | Absolute rate constants | Biophysics | Chemical Kinetic Investigation
    • FOR: 69999 Biological Sciences not elsewhere classified | 39999 Chemical Sciences not elsewhere classified

Biofuels are expected to play a significant role in the quest for greener energy generation. In this perspective, esters produced from biomass are promising candidates. This work presents the first computational kinetic study on <i>n</i>-butyl formate (BF) o... View more
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