Energy and Climate
Energy and ClimateECEnergyComputational Modeling & SimulationTwo CRF Papers Named “Distinguished” for 34th International Symposium on Combustion

Two CRF Papers Named “Distinguished” for 34th International Symposium on Combustion

Two papers by CRF researchers have been named distinguished papers for the 34th International Symposium on Combustion held from July 29–August 3, 2012, in Warsaw, Poland.

Comparison of the time profiles, integrated over 8.9–10.5 eV, of isobutene (m/z = 56) and C4H8O isomer (m/z = 72) products from Cl-initiated isobutane oxidation. The traces are scaled and vertically offset so that the “delayed” components of both signals coincide. The proportion of prompt to delayed signal is smaller for the oxygenated products than for the isobutene product. This channel-specific behavior can be qualitatively understood by considering the different energetic distributions of ROO and QOOH in formally direct vs thermal channels and the fact that the transition states involved in forming oxygenated products are “tighter” than that for forming isobutene.

Comparison of the time profiles, integrated over 8.9–10.5 eV, of isobutene (m/z = 56) and C4H8O isomer (m/z = 72) products from Cl-initiated isobutane oxidation. The traces are scaled and vertically offset so that the “delayed” components of both signals coincide. The proportion of prompt to delayed signal is smaller for the oxygenated products than for the isobutene product. This channel-specific behavior can be qualitatively understood by considering the different energetic distributions of ROO and QOOH in formally direct vs thermal channels and the fact that the transition states involved in forming oxygenated products are “tighter” than that for forming isobutene.

Representative snapshots of temperature in (a) direct numerical simulation and (b) large eddy simulation (LES), using the dynamic nonequilibrium model and (c) a representative instantaneous snapshot of Cτ values predicted by the dynamic model. The research team’s simulations confirm the viability of the dynamic nonequilibrium modeling approach for realistic LES computations. However, methods to reduce numerical error while maintaining numerical stability are needed in reacting-flow LES along with improved subfilter closures, such as the dynamic nonequilibrium modeling approach they presented.

Representative snapshots of temperature in (a) direct numerical simulation and (b) large eddy simulation (LES), using the dynamic nonequilibrium model and (c) a representative instantaneous snapshot of Cτ values predicted by the dynamic model. The research team’s simulations confirm the viability of the dynamic nonequilibrium modeling approach for realistic LES computations. However, methods to reduce numerical error while maintaining numerical stability are needed in reacting-flow LES along with improved subfilter closures, such as the dynamic nonequilibrium modeling approach they presented.

These papers, along with 10 other distinguished papers from the 34th Symposium, have been nominated as candidates for the Silver Combustion Medal. The winning paper will be announced at the 35th International Symposium on Combustion to be held August 3–8, 2014, in San Francisco, California, USA.

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