The reactions of imidogen with nitric oxide and molecular oxygen

Conference · Tue Jan 01 04:00:00 EST 1991

OSTI ID:5420637

Miller, J A; Melius, C F

Using potential energy surface information from BAC-MP4 calculations and statistical-dynamical methods, we have calculated the branching fraction for the NH + NO reaction, NH + NO {r arrow} N{sub 2} + H (1) NH + NO {r arrow} N{sub 2}O + H (2). We find that reaction (2) dominates over the entire temperature range considered, 300 K < T < 3500 K, with f=k{sub 1}/(k{sub 1} + K{sub 2}) varying from about 0.07 at room temperature to about 0.20 at 3500 K. In addition, we have calculated rate coefficients for the two-channel process, NH + O{sub 2} {r arrow} HNO + O (3) NH + O{sub 2} {r arrow} NO + OH (4). In this case we find that reaction (4) dominates at low temperature, reaction (3) at high temperature. All these results are discussed in terms of the experimental results available and compared with previous theoretical investigations where appropriate. 21 refs., 4 figs., 3 tabs.

• Research Organization: Sandia National Labs., Livermore, CA (United States)
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: AC04-76DR00789
• OSTI ID: 5420637
• Report Number(s): SAND-91-8732; CONF-920707--13; ON: DE92006697
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
&amp; High-Temperature Chemistry
CHALCOGENIDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
ELEMENTS
HARTREE-FOCK METHOD
HYDRIDES
HYDROGEN COMPOUNDS
KINETICS
NITRIC OXIDE
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
NITROGEN OXIDES
NONMETALS
OXIDES
OXYGEN
OXYGEN COMPOUNDS
REACTION KINETICS
TEMPERATURE RANGE
TEMPERATURE RANGE 0400-1000 K
TEMPERATURE RANGE 1000-4000 K