Haničinec, Martin;
(2022)
Towards Automatic Generation of Chemistry Sets for Plasma Modeling Applications.
Doctoral thesis (Ph.D), UCL (University College London).
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Abstract
Every technique for numerical modeling of low-temperature plasmas usually needs to be centered around a chemistry set (also referred to in the literature as reaction set, reaction mechanism, kinetic mechanism, etc.) Chemistry sets describe the kinetics of volumetric interactions between all the species tracked in the model, and additionally, the kinetics of the interactions between the species, and the surfaces of the modeling domain. Assembling self-consistent chemistry sets is a non-trivial task, mostly addressed by scientists with extensive experience in the field. This work envisions the Automatic Chemistry Set Generator; a method for algorithmic assembling of chemistry sets for low-temperature plasma modeling applications, based on a set of feed gas species and plasma parameters supplied by a user. In particular, two parts of this work detail two distinct steps necessary to be part of such a chemistry generator. I present a method for fast regression of kinetic parameters for reactions with unknown kinetics, and a method for skeletal reduction of detailed chemistry sets, by identifying redundant species and reactions.
| Type: | Thesis (Doctoral) |
|---|---|
| Qualification: | Ph.D |
| Title: | Towards Automatic Generation of Chemistry Sets for Plasma Modeling Applications |
| Event: | UCL (University College London) |
| Open access status: | An open access version is available from UCL Discovery |
| Language: | English |
| Additional information: | Copyright © The Author 2022. Original content in this thesis is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) Licence (https://creativecommons.org/licenses/by-nc/4.0/). Any third-party copyright material present remains the property of its respective owner(s) and is licensed under its existing terms. Access may initially be restricted at the author’s request. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10142219 |
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