GAS PHASE MOLECULAR DYNAMICS

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Description

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 ... continued below

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4 pages

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SEARS,T.J.; HALL,G.E.; PRESES,J.M. & WESTON,R.E.,JR. June 9, 1999.

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Description

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.

Physical Description

4 pages

Notes

OSTI as DE00758993

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  • DOE COMBUSTION RESEARCH CONTRACTORS MEETING, LAKE TAHOE, CA (US), 06/09/1999--06/12/1999

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  • Report No.: BNL--66419
  • Report No.: KC030102
  • Grant Number: AC02-98CH10886
  • Office of Scientific & Technical Information Report Number: 758993
  • Archival Resource Key: ark:/67531/metadc708758

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  • June 9, 1999

Added to The UNT Digital Library

  • Sept. 12, 2015, 6:31 a.m.

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  • Nov. 9, 2015, 12:21 p.m.

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SEARS,T.J.; HALL,G.E.; PRESES,J.M. & WESTON,R.E.,JR. GAS PHASE MOLECULAR DYNAMICS, article, June 9, 1999; Upton, New York. (digital.library.unt.edu/ark:/67531/metadc708758/: accessed August 20, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.