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Numerical simulation of chemical kinetics transport and flow processes
Thesis (PhD)--University of Pretoria, 2020.
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| Format: | Thesis |
| Language: | English |
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University of Pretoria
2020
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| _version_ | 1867613631126962176 |
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| access_status_str | Open Access |
| author2 | Banda, Mapundi K. |
| author_browse | Banda, Mapundi K. |
| author_facet | Banda, Mapundi K. |
| collection | Thesis |
| dc_rights_str_mv | © 2020 University of Pretoria. All rights reserved. The copyright in this work vests in the University of Pretoria. No part of this work may be reproduced or transmitted in any form or by any means, without the prior written permission of the University of Pretoria. |
| description | Thesis (PhD)--University of Pretoria, 2020. |
| format | Thesis |
| id | oai:repository.up.ac.za:2263/77830 |
| institution | University of Pretoria (South Africa) |
| language | English |
| last_indexed | 2026-06-10T12:39:12.888Z |
| license_str | Other — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UPSpace — University of Pretoria Institutional Repository |
| publishDate | 2020 |
| publishDateRange | 2020 |
| publishDateSort | 2020 |
| publisher | University of Pretoria |
| publisherStr | University of Pretoria |
| record_format | dspace |
| source_str | UPSpace — University of Pretoria Institutional Repository |
| spelling | oai:repository.up.ac.za:2263/77830 Numerical simulation of chemical kinetics transport and flow processes Banda, Mapundi K. u16383614@tuks.co.za Amikiya, Emmanuel Adoliwine UCTD Thesis (PhD)--University of Pretoria, 2020. In this thesis, numerical solution procedures are developed for simulating chemical phenomena. Mathematical models for phenomena involving flow, transport and reaction of chemical species are computationally challenging to simulate due to stiffness, high degrees of freedom and spatial dependence. Such challenges are resolved (in this thesis) by combining model decoupling techniques with compatible efficient numerical schemes. Chemical phenomena is decomposed into well-mixed chemical systems, poorly-mixed systems (or spatial dependent kinetics) and flow with reactive transport systems. Mathematical models for the systems are Ordinary Differential Equations (ODEs), parabolic Partial Differential Equations (PDEs) and hyperbolic PDEs, respectively. In the ODE model, stiffness is resolved by positivity-preserving implicit schemes while the large degrees of freedom is reduced by stoichiometric and continuous-time iteration methods. In the parabolic model, model decoupling techniques are employed to reduce the degrees of freedom while Implicit-Explicit numerical schemes are presented for resolving stiffness. Further, numerical schemes that have dispersion-dissipation-preserving properties have also been discussed. In the hyperbolic model, model decoupling techniques have been presented for reducing the degrees of freedom while shock-capturing, well-balanced numerical schemes have been presented for resolving nonlinear hyperbolic effects. The results from experiments show that the proposed numerical solution procedures can efficiently resolve the challenges in simulating chemical phenomena. Mathematics and Applied Mathematics PhD Unrestricted 2020-12-29T11:50:50Z 2020-12-29T11:50:50Z 2020/04/16 2020 Thesis Amikiya, EA 2020, Numerical simulation of chemical kinetics transport and flow processes, PhD Thesis, University of Pretoria, Pretoria, viewed yymmdd <http://hdl.handle.net/2263/77830> A2020 http://hdl.handle.net/2263/77830 en © 2020 University of Pretoria. All rights reserved. The copyright in this work vests in the University of Pretoria. No part of this work may be reproduced or transmitted in any form or by any means, without the prior written permission of the University of Pretoria. application/pdf University of Pretoria |
| spellingShingle | UCTD Numerical simulation of chemical kinetics transport and flow processes |
| title | Numerical simulation of chemical kinetics transport and flow processes |
| title_full | Numerical simulation of chemical kinetics transport and flow processes |
| title_fullStr | Numerical simulation of chemical kinetics transport and flow processes |
| title_full_unstemmed | Numerical simulation of chemical kinetics transport and flow processes |
| title_short | Numerical simulation of chemical kinetics transport and flow processes |
| title_sort | numerical simulation of chemical kinetics transport and flow processes |
| topic | UCTD |
| url | http://hdl.handle.net/2263/77830 |