Gas Phase Molecular Dynamics
The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions involving short-lived chemical intermediates and their properties. High-resolution high-sensitivity laser absorption methods are augmented by high temperature flow-tube reaction kinetics studies with mass spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular flee radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals in chemical systems. The experimental work is supported by theoretical and computational work using time-dependent quantum wavepacket calculations that provide insights into energy flow between the vibrational modes of the molecule.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- AC02-98CH10886
- OSTI ID:
- 7677
- Report Number(s):
- BNL-66419; R&D Project: CO-6; KC-03-01-02; ON: DE00007677
- Resource Relation:
- Conference: DOE Combustion Research Contractors Meeting, Lake Tahoe, CA, June 9-12
- Country of Publication:
- United States
- Language:
- English
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