5.1. 2-Butanone + OH () products
OH sensitivity analysis was performed for a mixture of 234 ppm
of 2-butanone with 16 ppm TBHP (and 45 ppm water) in Ar at
1224 K and 1.44 atm (Fig. 10). The OH sensitivity is calculated as
SOH ¼ ð@XOH=@kiÞðki=XOHÞ, where XOH is the local OH mole fraction
and ki is the rate constant of ith reaction. Fig. 10 reveals that
2-butanone reaction with OH is indeed the dominant reaction over
the time frame of the experiment. However, some interference
from secondary reactions is observed. Therefore, the rates for these
interfering reactions are also updated in the base mechanism: