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Title: GAS PHASE MOLECULAR DYNAMICS

Abstract

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.

Authors:
; ; ;
Publication Date:
Research Org.:
Brookhaven National Lab., Upton, NY (US)
Sponsoring Org.:
USDOE Office of Energy Research (ER) (US)
OSTI Identifier:
758993
Report Number(s):
BNL-66419; KC030102
R&D Project: CO6; KC030102; TRN: AH200034%%318
DOE Contract Number:
AC02-98CH10886
Resource Type:
Conference
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
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHEMICAL BONDS; COMBUSTION KINETICS; FOSSIL FUELS; RADICALS; CHEMICAL REACTION KINETICS; REACTION INTERMEDIATES; MASS SPECTROSCOPY

Citation Formats

SEARS,T.J., HALL,G.E., PRESES,J.M., and WESTON,R.E.,JR. GAS PHASE MOLECULAR DYNAMICS. United States: N. p., 1999. Web.
SEARS,T.J., HALL,G.E., PRESES,J.M., & WESTON,R.E.,JR. GAS PHASE MOLECULAR DYNAMICS. United States.
SEARS,T.J., HALL,G.E., PRESES,J.M., and WESTON,R.E.,JR. 1999. "GAS PHASE MOLECULAR DYNAMICS". United States. doi:. https://www.osti.gov/servlets/purl/758993.
@article{osti_758993,
title = {GAS PHASE MOLECULAR DYNAMICS},
author = {SEARS,T.J. and HALL,G.E. and PRESES,J.M. and WESTON,R.E.,JR.},
abstractNote = {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.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = 1999,
month = 6
}

Conference:
Other availability
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