Article Dans Une Revue The Journal of Chemical Physics Année : 2021

Rate constants for the H+ + H 2 reaction from 5 K to 3000 K with a statistical quantum method

Résumé

An exhaustive investigation of state-to-state H + + H 2 (v, j) → H + + H 2 (v ′ , j ′) transitions for rovibrational levels of molecular hydrogen below 1.3 eV from the bottom of the H 2 well is carried out by means of a statistical quantum method, which assumes the complex-forming nature of the process. Integral cross sections for transitions involving states H 2 (v = 0, j = 0-12), H 2 (v = 1, j = 0-8), and H 2 (v = 2, j = 0-3) are obtained for collision energies within a range of E min = 10 −5 eV and Emax = 2 eV. Rate constants are then calculated between T = 5 K and 3000 K, and they are compared, when possible, with previous values reported in the literature. As a first application, the cooling rate coefficient of H 2 excited by protons is determined and compared with a recent estimate.

Dates et versions

hal-03441835 , version 1 (22-11-2021)

Identifiants

Citer

Tomás González-Lezana, Pierre Hily-Blant, A Faure. Rate constants for the H+ + H 2 reaction from 5 K to 3000 K with a statistical quantum method. The Journal of Chemical Physics, 2021, 154 (5), pp.054310. ⟨10.1063/5.0039629⟩. ⟨hal-03441835⟩
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