The kinetics of the reactions of ground-state NH with N2O and implications for ammonia combustion

Marshall, Paul; Glarborg, Peter

doi:10.1016/j.cplett.2025.142307

The kinetics of the reactions of ground-state NH with N₂O and implications for ammonia combustion

Journal Article · Mon Jul 28 00:00:00 EDT 2025 · Chemical Physics Letters

DOI:https://doi.org/10.1016/j.cplett.2025.142307· OSTI ID:3001047

Marshall, Paul ^[1]; Glarborg, Peter ^[2]

University of North Texas, Denton, TX (United States)
Technical University of Denmark (Denmark)

Quantum chemistry and canonical transition state theory have been applied to derive rate constants k for reactions of ³Σ⁻ imidogen with nitrous oxide. 3 channels were quantified. The fastest leads to NNH+NO and may be summarized as k = 2.8 × 10⁷ T^1.68 exp.(−23.1 kcal mol⁻¹/RT) cm³ mole⁻¹ s⁻¹. Two much slower pathways lead to N₂ + ³HNO and spin-forbidden ¹HNO. Modeling of literature data, from an NH₃/O₂ flame and jet-stirred reactor measurements on dilute NH₃/N₂O mixtures, with the new kinetic information suggests that these channels are too slow to consume N₂O significantly, and confirms that a widely used proposed rate constant for NH+N₂O overestimates the reactivity.

View Accepted Manuscript (DOE)

Research Organization:: University of North Texas, Denton, TX (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: SC0020952

OSTI ID:: 3001047

Journal Information:: Chemical Physics Letters, Journal Name: Chemical Physics Letters Vol. 877; ISSN 0009-2614

Publisher:: Elsevier BVCopyright Statement

Country of Publication:: United States

Language:: English

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