Abstract
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 SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples.
Highlights
Realistic plasma models of many processes rest on the availability of reliable atomic and molecular data, so that the models are able to replicate the processes that drive the plasma at the submicroscopic level
(3) the plasma chemistry should be correct; this criterion cannot be demonstrated on theoretical grounds alone and requires validation against experimental measurements made in plasmas
At present Quantemol Database (QDB) does not include processes that occur on surfaces and has only limited data for processes involving a third body
Summary
Realistic plasma models of many processes rest on the availability of reliable atomic and molecular data, so that the models are able to replicate the processes that drive the plasma at the submicroscopic level. For low-temperature plasmas, which are substantially molecular in composition, the set of possible processes, which we refer to as reactions below, can be very large. Aims to provide a web-based platform for data needed to model low-temperature plasmas. In practice LXCat considers electron collision processes but not heavy-particle (chemical) reactions While both QDB and LXCat are set up to accept and provide multiple datasets for a single process if they are available, QDB aims to recommend a dataset for a particular application while LXCat leaves this choice to its users. QDB aims to provide a repository for cross sections and/ or rates for key reactions needed for models of low-temperature, i.e. molecular, plasmas. QDB assembles these sets in chemistries for important plasma mixtures.
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