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Pure and Applied Chemistry

The Scientific Journal of IUPAC

Ed. by Burrows, Hugh / Weir, Ron / Stohner, Jürgen


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1365-3075
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Modeling of the plasma chemistry and plasma–surface interactions in reactive plasmas

Annemie Bogaerts1 / Christophe De Bie1 / Maxie Eckert1 / Violeta Georgieva1 / Tom Martens1 / Erik Neyts1 / Stefan Tinck1

1PLASMANT research group, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Wilrijk, Belgium

Conference

International Symposium on Plasma Chemistry (ISPC-19), International Symposium on Plasma Chemistry, ISPC, Plasma Chemistry, 19th, Bochum, Germany, 2009-07-26–2009-07-31

Citation Information: Pure and Applied Chemistry. Volume 82, Issue 6, Pages 1283–1299, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: 10.1351/PAC-CON-09-09-20, February 2010

Publication History

Published Online:
2010-02-20

In this paper, an overview is given of modeling activities going on in our research group, for describing the plasma chemistry and plasma–surface interactions in reactive plasmas. The plasma chemistry is calculated by a fluid approach or by hybrid Monte Carlo (MC)–fluid modeling. An example of both is illustrated in the first part of the paper. The example of fluid modeling is given for a dielectric barrier discharge (DBD) in CH4/O2, to describe the partial oxidation of CH4 into value-added chemicals. The example of hybrid MC–fluid modeling concerns an inductively coupled plasma (ICP) etch reactor in Ar/Cl2/O2, including also the description of the etch process. The second part of the paper deals with the treatment of plasma–surface interactions on the atomic level, with molecular dynamics (MD) simulations or a combination of MD and MC simulations.

Keywords: computer modeling; fluid model; molecular dynamics; Monte Carlo; numerical simulation; plasma; plasma chemistry; plasma–surface interactions

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