Gamache, Robert R;
Vispoel, Bastien;
Rey, Michaël;
Tyuterev, Vladimir;
Barbe, Alain;
Nikitin, Andrei;
Polyansky, Oleg L;
... Tashkun, Sergei A; + view all
(2022)
Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres.
Icarus
, 378
, Article 114947. 10.1016/j.icarus.2022.114947.
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Abstract
Internal vibrational and rotational partition functions are calculated for nine molecules that are abundant in the terrestrial atmosphere and some are also observed in planetary and exoplanet atmospheres. These molecules are often observed in non-local thermodynamic equilibrium (NLTE) conditions. Calculations are made for all isotopologues of these molecules for which data are available, generally for the temperature range T = 1–5000 K. The methods of calculation of the vibrational and rotational partition functions, Qv and Qr, respectively, the convergence, and the uncertainties for each isotopologue are discussed. Finally, a FORTRAN program, NLTE_TIPS_2021.FOR, to recall the NLTE partition sums is discussed.
| Type: | Article |
|---|---|
| Title: | Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.icarus.2022.114947 |
| Publisher version: | https://doi.org/10.1016/j.icarus.2022.114947 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | NLTE, Partition sums, Planetary and exoplanet atmospheres |
| UCL classification: | UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy UCL > Provost and Vice Provost Offices > UCL BEAMS UCL |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10145504 |
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