Tennyson, Jonathan;
Mohr, Sebastian;
Hanicinec, Martin;
Dzarasova, Anna;
Smith, Carrick;
Waddington, Sarah;
Liu, Bingqing;
... Zatsarinny, Oleg; + view all
(2022)
The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions.
Plasma Sources Science and Technology
, 31
(9)
, Article 095020. 10.1088/1361-6595/ac907e.
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Abstract
The Quantemol database (QDB) provides cross sections and rates of processes important for plasma models; heavy particle collisions (chemical reactions) and electron collision processes are considered. The current version of QDB has data on 28\,917 processes between 2\,485 distinct species plus data for surface processes. These data are available via a web interface or can be delivered directly to plasma models using an application program interface (API); data are available in formats suitable for direct input into a variety of popular plasma modelling codes including HPEM, COMSOL, ChemKIN, CFD-ACE+, and VisGlow. QDB provides ready assembled plasma chemistries plus the ability to build bespoke chemistries. The database also provides a Boltzmann solver for electron dynamics and a zero-dimensional model. These developments, use cases involving O$_2$, Ar/NF$_3$, Ar/NF$_3$/O$_2$, and He/H$_2$O/O$_2$ chemistries, and plans for the future are presented.
| Type: | Article |
|---|---|
| Title: | The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1361-6595/ac907e |
| Publisher version: | https://doi.org/10.1088/1361-6595/ac907e |
| Language: | English |
| Additional information: | Original content from this work may be used under the terms of the Creative Commons Attribution 4.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
| 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-pp.ucl.ac.uk/id/eprint/10155732 |
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