QDB: a new database of plasma chemistries and reactions
QDB: a new database of plasma chemistries and reactions
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DOI：
10.1088/1361-6595/aa6669
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发表时间：
2017-05-01
影响因子：
3.8
通讯作者：
Yoon, Jung-Sik
中科院分区：
文献类型：
--
作者：
Tennyson, Jonathan;Rahimi, Sara;Yoon, Jung-Sik
在对等离子体建模时，最具挑战性和反复出现的问题之一是缺乏驱动等离子体过程的关键原子和分子反应的数据。即使有一些反应的数据，也很少有完整和有效的化学反应数据集。这阻碍了对等离子体工艺的研究，并限制了工业应用的发展。QDB项目旨在通过提供一个提供、交换和验证化学数据集的平台来解决这个问题。提出了一种为QDB开发的新数据模型。QDB整理了有关电子散射和重粒子反应的公开数据。这些数据被形成反应集，然后在可能的情况下对照实验数据进行验证。这一过程既产生了完整的化学组，又确定了目前文献中未报道的关键反应。数据集中的空白可以用既定的理论方法来填补。以SF6/CF4/O-2和SF6/CF4/N-2/H-2为例进行了初步验证。
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/O-2 and SF6/CF4/N-2/H-2 are presented as examples.