Brandon Rotavera, University of Georgia
Faculty Host: Prof. Goulay
Rotavera Group Webpage
Reaction mechanisms in low-temperature oxidation of hydrocarbons and biofuels remain
of central importance to the development of numerical chemical kinetics models,
which serve as input to simulation tools in the design of next-generation combustion
systems. The degree to which such models are useful hinges on insight obtained
from rigorous experimental measurements. Of particular utility are speciation data
in the region where Ṙ + O2 reactions dominate (< 1000 K) and, in specific,
the identification of isomers formed via reactions of Ṙ and Q̇OOH radicals and/or
species connected to subsequent ketohydroperoxide formation pathways.
Molecular structure plays a central role in reactions mechanisms unfolding below 1000 K. Accordingly, the seminar presents results from a concerted set of studies on cyclohexane, cyclohexene, and tetrahydropyran - six-membered cyclic molecules with different bonding motifs. The results were obtained using multiplexed photoionization mass spectrometry (MPIMS) applied to molecular beams and confirm that ring-opening reactions are facilitated in both cyclohexene and tetrahydropyran, which ultimately impacts the degree of chain-branching expected during combustion.