High-performance computing aids calculations of combustion kinetics

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These illustrations show the interaction potentials between: two methyl radicals (upper left) methyl and ethyl radicals (upper right) methyl and iso-propyl radicals (lower left) and methyl and tert-butyl radicals (lower right). The attractive interac ...
These illustrations show the interaction potentials between: two methyl radicals (upper left), methyl and ethyl radicals (upper right), methyl and /iso/-propyl radicals (lower left) and methyl and /tert/-butyl radicals (lower right). The attractive interactions are depicted with blue and repulsive with red. Larger attractive interactions result in faster radical-radical reactions.

Even though combustion provides 85 percent of the energy humans use, little is known about many of its most basic chemical reactions. Researchers in Argonne's Chemistry Division have brought together advances in theoretical chemical kinetics and high-performance computing to speed research in the chemistry of fuel combustion.


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All News summaries for May 22, 2006