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Author: Bogaerts, Annemie × Publisher: Bristol : IOP Publ. ×

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    QDB: A new database of plasma chemistries and reactions
    (Bristol : IOP Publ., 2017) Tennyson, Jonathan; Rahimi, Sara; Hill, Christian; Tse, Lisa; Vibhakar, Anuradha; Akello-Egwel, Dolica; Brown, Daniel B.; Dzarasova, Anna; Hamilton, James R.; Jaksch, Dagmar; Mohr, Sebastian; Wren-Little, Keir; Bruckmeier, Johannes; Agarwal, Ankur; Bartschat, Klaus; Bogaerts, Annemie; Booth, Jean-Paul; Goeckner, Matthew J.; Hassouni, Khaled; Itikawa, Yukikazu; Braams, Bastiaan J; Krishnakumar, E.; Laricchiuta, Annarita; Mason, Nigel J.; Pandey, Sumeet; Petrovic, Zoran Lj.; Pu, Yi-Kang; Ranjan, Alok; Rauf, Shahid; Schulze, Julian; Turner, Miles M.; Ventzek, Peter; Whitehead, J. Christopher; Yoon, Jung-Sik
    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.
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    The 2020 plasma catalysis roadmap
    (Bristol : IOP Publ., 2020) Bogaerts, Annemie; Tu, Xin; Whitehead, J Christopher; Centi, Gabriele; Lefferts, Leon; Guaitella, Olivier; Azzolina-Jury, Federico; Kim, Hyun-Ha; Murphy, Anthony B; Schneider, William F; Nozaki, Tomohiro; Hicks, Jason C; Rousseau, Antoine; Thevenet, Frederic; Khacef, Ahmed; Carreon, Maria
    Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, CH4 activation into hydrogen, higher hydrocarbons or oxygenates, and NH3 synthesis. Other applications are already more established, such as for air pollution control, e.g. volatile organic compound remediation, particulate matter and NOx removal. In addition, plasma is also very promising for catalyst synthesis and treatment. Plasma catalysis clearly has benefits over 'conventional' catalysis, as outlined in the Introduction. However, a better insight into the underlying physical and chemical processes is crucial. This can be obtained by experiments applying diagnostics, studying both the chemical processes at the catalyst surface and the physicochemical mechanisms of plasma-catalyst interactions, as well as by computer modeling. The key challenge is to design cost-effective, highly active and stable catalysts tailored to the plasma environment. Therefore, insight from thermal catalysis as well as electro- and photocatalysis is crucial. All these aspects are covered in this Roadmap paper, written by specialists in their field, presenting the state-of-the-art, the current and future challenges, as well as the advances in science and technology needed to meet these challenges.