Propene is the simplest olefin with an allylic site; yet, despite several prior investigations, questions remain about its low temperature kinetics. Earlier attempts to describe the kinetics in terms of theoretically plausible reactions generally under-predicted the low temperature reactivity. For example, the earlier kinetic model developed in our group was able to properly characterize alkane pyrolysis, but significantly under-predicted the propene conversion as shown in Figure 1. The figure also shows that several other published kinetic models also fail to capture the fuel conversion. These particular models were primarily developed to describe alkane/alkene oxidation, so these comparisons are under conditions that are well removed from those under which they were developed. Generally they perform well under higher temperature pyrolytic conditions rather than at the lower temperatures here. Nevertheless, this comparison does illustrate that significant uncertainties remain. It is essential to first understand fuel conversion in a system as simple as propene pyrolysis; only then it is possible to unravel the kinetics for the formation of MWG products.
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