Quasi-classical rate coefficient calculations for the rotational (de)excitation of H{2}O by H{2}
Abstract
Context: The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of H2O by H2 molecules is the process of most interest in interstellar space.
Aims: To determine rate coefficients for rotational de-excitation among the lowest 45 para and 45 ortho rotational levels of H2O colliding with both para and ortho-H2 in the temperature range 20-2000 K.
Methods: Rate coefficients are calculated on a recent high-accuracy H2O-H2 potential energy surface using quasi-classical trajectory calculations. Trajectories are sampled by a canonical Monte-Carlo procedure. H2 molecules are assumed to be rotationally thermalized at the kinetic temperature.
Results: By comparison with quantum calculations available for low lying levels, classical rates are found to be accurate within a factor of 1-3 for the dominant transitions, that is those with rates larger than a few 10-12 cm3 s-1. Large velocity gradient modelling shows that the new rates have a significant impact on emission line fluxes and that they should be adopted in any detailed population model of water in warm and hot environments.
- Publication:
-
Astronomy and Astrophysics
- Pub Date:
- September 2007
- DOI:
- 10.1051/0004-6361:20077678
- arXiv:
- arXiv:0708.0345
- Bibcode:
- 2007A&A...472.1029F
- Keywords:
-
- molecular data;
- molecular processes;
- ISM: molecules;
- Astrophysics
- E-Print:
- 8 pages, 2 figures, 1 table (the online material (4 tables) can be obtained upon request to afaure@obs.ujf-grenoble.fr)