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 free 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. The work of group members Fockenberg and Muckerman is described in separate abstracts of this volume.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE Office of Energy Research (ER) (US)
- DOE Contract Number:
- AC02-98CH10886
- OSTI ID:
- 758993
- Report Number(s):
- BNL-66419; KC030102; R&D Project: CO6; KC030102; TRN: AH200034%%318
- Resource Relation:
- Conference: DOE COMBUSTION RESEARCH CONTRACTORS MEETING, LAKE TAHOE, CA (US), 06/09/1999--06/12/1999; Other Information: PBD: 9 Jun 1999
- Country of Publication:
- United States
- Language:
- English
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