Gas-Phase Molecular Dynamics: Vibrational Dynamics of Polyatomic Molecules
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 and properties of short-lived chemical intermediates. High-resolution, high-sensitivity, laser absorption methods are augmented by high- temperature, flow-tube reaction kinetics studies with mass-spectrometic 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 involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide insight into energy flow among the vibrational modes of polyatomic molecules and interference effects in multiple-surface dynamics.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- AC02-98CH10886
- OSTI ID:
- 7674
- Report Number(s):
- BNL-66418; R&D Project: CO-6; KC-03-01-02; ON: DE00007674
- 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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Gas Phase Molecular Dynamics
GAS PHASE MOLECULAR DYNAMICS