The reactions of imidogen with nitric oxide and molecular oxygen
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:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC04-76DR00789
- OSTI ID:
- 10114915
- Report Number(s):
- SAND-91-8732; CONF-920707-13; ON: DE92006697
- Resource Relation:
- Conference: 24. international symposium on combustion,Sydney (Australia),5-10 Jul 1992; Other Information: PBD: [1991]
- Country of Publication:
- United States
- Language:
- English
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