The ignition delay times of both ketones decrease when
decreasing U from 1 to 0.5.
The ignition delay times of both ketones decrease slightly when
pressure increases from 3 to 6.5 atm, and 3-buten-2-one shows
higher pressure-dependence compared to 2-butanone.
Table 3
Experimental data for 3-buten-2-one + OH ? products reaction rate.
T5 (K) P5 (atm) k2 (cm3 mol1 s
1
)
234 ppm 3-Buten-2-one, 15 ppm TBHP (45 ppm water) in Ar
958 1.63 3.88E+12
1007 1.59 3.84E+12
1054 1.53 4.22E+12
1090 1.48 4.51E+12
1134 1.46 4.69E+12
1171 1.44 8.45E+12
1209 1.36 5.27E+12
1361 1.32 7.38E+12
1373 1.20 7.96E+12
1376 1.36 7.75E+12
Fig. 16. Arrhenius plot for 3-buten-2-one + OH ? Products rates measured in the
current work.
Fig. 17. Arrhenius plot for 3-buten-2-one + OH ? Products rates measured at high
and low temperatures.
Fig. 18. A comparison of 2-butanone + OH and 3-buten-2-one + OH rate constants.
J. Badra et al. / Combustion and Flame 161 (2014) 725–734 733
The current 2-butanone mechanism over-predicted the ignition
delay times of 2-butanone. However, after slight refinement,
the disagreement with the experimental data is reduced.
The developed sub-mechanism for 3-buten-2-one reproduced
the experimental ignition delay data very well for a wide range
of operating conditions.
The measured reaction rate constant of 2-butanone + OH
compares well with the previously published data. The 3-
buten-2-one reaction with OH showed slower rate compared
to 2-butanone. Also, 3-buten-2-one + OH reaction rate constant
goes through transition at intermediate temperatures and starts
increasing as the temperature decreases. This behavior is not
seen for 2-butanone where the rate constants with OH keeps
decreasing as the temperature decreases.