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QDB: A new database of plasma chemistries and reactions

Tennyson, J., Rahimi, S., Hill, C., Tse, L., Vibhakar, A., Akello-Egwel, D., Brown, D.B., Dzarasova, A., Hamilton, J.R., Jaksch, D., and others. (2017) QDB: A new database of plasma chemistries and reactions. Plasma Sources Science and Technology, 26 (5). Article Number 55014. ISSN 1361-6595. (doi:10.1088/1361-6595/aa6669) (KAR id:74651)

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One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF 6 /CF 4 /O 2 and SF 6 /CF 4 /N 2 /H 2 are presented as examples.

Item Type: Article
DOI/Identification number: 10.1088/1361-6595/aa6669
Uncontrolled keywords: atomic and molecular data, database, plasma chemistry, Database systems, Electron scattering, Industrial research, Sulfur hexafluoride, Heavy particles, Key reactions, Molecular data, Molecular reactions, Plasma chemistries, Plasma process, Theoretical methods, Digital storage
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Nigel Mason
Date Deposited: 02 Jul 2019 10:20 UTC
Last Modified: 19 Oct 2020 16:01 UTC
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