• Media type: E-Article
  • Title: A regression model for plasma reaction kinetics
  • Contributor: Hanicinec, Martin; Mohr, Sebastian; Tennyson, Jonathan
  • imprint: IOP Publishing, 2023
  • Published in: Journal of Physics D: Applied Physics
  • Language: Not determined
  • DOI: 10.1088/1361-6463/acd390
  • ISSN: 0022-3727; 1361-6463
  • Keywords: Surfaces, Coatings and Films ; Acoustics and Ultrasonics ; Condensed Matter Physics ; Electronic, Optical and Magnetic Materials
  • Origination:
  • Footnote:
  • Description: <jats:title>Abstract</jats:title> <jats:p>Machine learning (ML) is used to provide reactions rates appropriate for models of low temperature plasmas with a focus on A + B <jats:inline-formula> <jats:tex-math><?CDATA $\rightarrow$?></jats:tex-math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mo stretchy="false">→</mml:mo> </mml:math> <jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="dacd390ieqn1.gif" xlink:type="simple" /> </jats:inline-formula> C + D binary chemical reactions. The regression model is trained on data extracted from the QBD, KIDA, NFRI and UfDA databases. The regression model used a variety of data on the reactant and product species, some of which also had to be estimated using ML. The final model is a voting regressor comprising three distinct optimized regression models: a support vector regressor, random forest regressor and a gradient-boosted trees regressor model; this model is made freely available via a GitHub repository. As a sample use case, the ML results are used to augment the chemistry of a BCl<jats:sub>3</jats:sub>/H<jats:sub>2</jats:sub> gas mixture.</jats:p>