Theoretical studies of the reactions and spectroscopy of radical species relevant to combustion reactions and diagnostics. Progress report, 1 July 1991--15 March 1992

Technical Report · Wed Apr 01 04:00:00 EST 1992

DOI:https://doi.org/10.2172/10142162· OSTI ID:10142162

Yarkony, D R

This report describes the use of our electronic structure algorithms to treat nonadiabatic processes relevant to combustion diagnostics and combustion reactions during the first nine months of Department of Energy grant DE-FG02-91ER14189 and outlines future work to be performed. During this period problems have been addressed in detail: (1) the possibility of using photoionization spectroscopy to detect CH{sub 3}O, (2) the lifetimes of the individual ro-vibronic levels in OH(v=3) a state that has been suggested as a fluorescence probe of OH produced in combustion environments and (3) the basic mechanism for the spin-forbidden initiating step in the Fenimore mechanism for the production of NO in flame fronts, CH(X{sup 2}{product}) + N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +}) {yields} HCN(X{sup 1}{Sigma}{sup +}) + N({sup 4}S).

• Research Organization: Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Chemistry
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-91ER14189
• OSTI ID: 10142162
• Report Number(s): DOE/ER/14189--1; ON: DE92013484
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201
400800
664200
74 ATOMIC AND MOLECULAR PHYSICS
ALGORITHMS
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
COMBUSTION
COMBUSTION KINETICS
COMBUSTION, PYROLYSIS, AND HIGH-TEMPERATURE CHEMISTRY
DIAGNOSTIC TECHNIQUES
ELECTRONIC STRUCTURE
HYDROCYANIC ACID
METHOXY RADICALS
NITROGEN
PHOTOELECTRON SPECTROSCOPY
PHOTOIONIZATION
PROGRESS REPORT
ROTATIONAL STATES
SPECTRA OF ATOMS AND MOLECULES AND THEIR INTERACTIONS WITH PHOTONS
VIBRATIONAL STATES