Document Type
Article
Publication Date
10-2023
Publisher
EDP Sciences
Source Publication
Astronomy & Astrophysics
Source ISSN
0004-6361
Original Item ID
DOI: 10.1051/0004-6361/202346895
Abstract
Aims. We present an improved database of temperature-dependent rate coefficients for rotational state-to-state transitions in H2O + H2O collisions. The database includes 231 transitions between the lower para-states of H2O and 210 transitions between its lower ortho-states (up to j = 7) and can be employed in cometary and planetary applications up to the temperature of 1000 K.
Methods. We developed and applied a new general method that allows the generation of rate coefficients for excitation and quenching processes that automatically satisfy the principle of microscopic reversibility and also helps to cover the range of low collision energies by interpolation of cross sections between the process threshold and the computed data points.
Results. We find that in the range of intermediate temperatures, 150 < T < 600 K, our new rate coefficients are in good agreement with those reported earlier, but for higher temperatures, 600 < T < 1000 K, the new revised temperature dependence is recommended. The low temperature range, 5 < T < 150 K, is now covered by the above-mentioned interpolation of cross sections down to the process threshold.
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.
Recommended Citation
Mandal, Bikramaditya and Babikov, Dmitri, "Improved Temperature Dependence of Rate Coefficients for Rotational State-to-State Transitions in H2O + H2O Collisions" (2023). Chemistry Faculty Research and Publications. 1076.
https://epublications.marquette.edu/chem_fac/1076
Comments
Published version. Astronomy & Astrophysics, Vol. 678 (October 2023). DOI. © 2023 EDP Sciences. Used with permission.
Open Access article, published by EDP Sciences, under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. This article is published in open access under the Subscribe to Open model. Subscribe to A&A to support open access publication.