The Dynamics of the S(1D)+H2/D2 Reactions at Low Temperature via Statistical Simulations

Authors

  • Tomas Gonzalez-Lezana Consejo Superior de Investigaciones Científicas
  • Pascal Larrégaray Université de Bordeaux,Institut des Sciences Moléculaires / CNRS, Institut des Sciences Moléculaires
  • Laurent Bonnet Université de Bordeaux,Institut des Sciences Moléculaires / CNRS, Institut des Sciences Moléculaires

DOI:

https://doi.org/10.34019/2674-9688.2020.v3.30914

Keywords:

Reactive scattering, atom-diatom reactions, Statistical methods, Reaction dynamics

Abstract

Two different statistical approaches, the statistical quantum model (SQM) and the mean potential phase space theory (MPPST), have been employed to calculate the integral cross sections for the reactive collisions between S(1D) and H2/ D2  in the low energy regime (below 0.3 eV collisional energy). The rate constant for the S(1D) + H2 → SH + H reaction has been also obtained and compared with previously reported experimental and theoretical results. The good agreement shows the capability of these two methods to study the dynamics of these complex-forming atom-diatom processes in the present energy regime.

Downloads

Published

2020-11-28