Reaction of hydrogen atoms with singlet delta oxygen (O2(a1Δg)). Is everything completely clear?
- 1. Lomonosov Moscow State University, Skobeltsyn Institute of Nuclear Physics, Moscow 119991 (Russian Federation)
Description
In this paper, a comprehensive analysis of the reaction H + O2(a 1Δg) → products and its channels, including available experimental data, theoretical estimations and kinetic studies, was carried out. A possible intrinsic mechanism of the reaction H + O2(a 1Δg) → products, taking into account Renner–Teller coupling between the lowest doublet 2A′ and 2A″ states of a HO2 molecule was suggested. The proposed mechanism allows qualitative justification of the available data on the high probability for the quenching reaction: H + O2(a 1Δg) → H + O2(3Σg). The effect of the reactions, including electronically excited molecules on the evaluation of temperature dependencies for the total and branching rate constants of the reaction H + O2(a 1Δg) → products at low temperatures, was investigated. The value of the reaction H + O2(a 1Δg)(+M) → HO2(2A′,2A″)(+M) rate constant was evaluated from shock tube experiments on O2(a 1Δg) quenching in a lean H2–O2–O2(a 1Δg) mixture. Based on the obtained results, temperature and pressure dependencies for the rate constants of the reaction H + O2(a 1Δg) → product channels were recommended for the simulations, together with the proposed kinetic sub-mechanism for O2(a 1Δg) chemistry in H2–O2 mixtures. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/0022-3727/49/48/485202Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. D, Applied Physics
- Journal Volume
- 49
- Journal Issue
- 48
- Journal Page Range
- [22 p.]
- ISSN
- 0022-3727
- CODEN
- JPAPBE
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 51029256
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- BRANCHING RATIO; CHEMISTRY; HYDROGEN; MIXTURES; MOLECULES; OXYGEN; PROBABILITY; QUENCHING; REACTION KINETICS; SHOCK TUBES; SIMULATION
- Descriptors DEC
- DIMENSIONLESS NUMBERS; DISPERSIONS; ELEMENTS; KINETICS; NONMETALS