%0 Journal Article
%A Wagnon, Scott W.
%A Karwat, Darshan
M. A.
%A Wooldridge, Margaret S.
%A Westbrook, Charles
K.
%D 2015
%T Experimental
and Modeling Study of Methyl trans-3-Hexenoate Autoignition
%U https://acs.figshare.com/articles/journal_contribution/Experimental_and_Modeling_Study_of_Methyl_i_trans_i_3_Hexenoate_Autoignition/2044095
%R 10.1021/ef501806s.s004
%2 https://acs.figshare.com/ndownloader/files/3615408
%K hydrocarbon intermediates
%K Pressure time histories
%K reaction chemistry
%K ignition delay time
%K 1085 K
%K compression conditions
%K tran
%K dilution level
%K mole basis
%K τ ign
%K 10.5 atm
%K speciation results
%K R 2 value
%K Modeling Study
%K ignition delay time predictions
%K Experimental autoignition studies
%K reaction mechanism
%K test gas composition
%K compression facility
%K regression analysis
%K Arrhenius form
%K ignition delay times
%K model predictions
%K data
%X This
work presents the results of an experimental and computational
study of methyl trans-3-hexenoate autoignition. Experimental
autoignition studies were conducted using the University of Michigan
rapid compression facility. Pressure time histories were used to determine
ignition delay times as a function of test gas composition and experimental
conditions. The fuel/oxygen equivalence ratio and dilution level were
ϕ = 0.3 and inert/O2 = 3.76 (mole basis). End of
compression conditions targeted an average pressure of 10.5 atm and
temperatures ranging from 884 to 1085 K. A correlation in Arrhenius
form was developed by regression analysis of the experimental data,
where the ignition delay time is τign (ms) = 1.4
× 10–6 exp[30 100/(R̅(cal mol–1 K–1)T)] with a R2 value of 0.99. Gas-sampling experiments were also conducted to measure
stable intermediates formed during autoignition. A detailed reaction
mechanism was developed and model predictions were compared to the
experimental data. While ignition delay time predictions are in excellent
agreement with the experimental data, the speciation results highlight
uncertainties in the reaction chemistry of unsaturated esters and
small hydrocarbon intermediates.
%I ACS Publications