Published December 7, 2016 | Version v1
Journal article

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 HO 2 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/10.1088/0022-3727/49/48/485202

Additional details

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