Modelling and simulation of reactive transport phenomena

dc.contributor.authorAmikiya, Adoliwine Emmanuel
dc.contributor.authorBanda, M.K. (Mapundi)
dc.date.accessioned2018-10-12T11:53:44Z
dc.date.issued2018-09
dc.description.abstractMathematical modelling and numerical simulation of chemical transport phenomena are very challenging due to large numbers of species and reactions involved. Reactive transport models for such systems have high degrees of freedom, and therefore, are computationally expensive to solve. In this discussion, we present and numerically analyse stoichiometric decoupling method for reducing the high degrees of freedom and hence, cost of simulation. This method is a model reduction procedure that is based on some key properties of chemical systems. A multi-scale model of a passive treatment method for acidic mine effluents is used to test the efficacy of the reduction procedure. Moreover, reduced models are characteristically non-linear and stiff, thus, we used numerical techniques to study the reduction error in order to establish compatibility/efficiency of the reduction procedure.en_ZA
dc.description.departmentMathematics and Applied Mathematicsen_ZA
dc.description.embargo2019-09-01
dc.description.librarianhj2018en_ZA
dc.description.sponsorshipAEA acknowledges support from the Pilot Bursary of the University of Pretoria, the African Institute of Mathematical Sciences and University of Stellenbosch. This work is also supported in part by the National Research Foundation of South Africa (Grant Number: 93099 and 93476).en_ZA
dc.description.urihttp://www.elsevier.com/locate/jocsen_ZA
dc.identifier.citationAmikiya, A.E. & Banda, M.K. 2018,'Modelling and simulation of reactive transport phenomena', Journal of Computational Science, vol. 28, pp. 155-167.en_ZA
dc.identifier.issn1877-7503
dc.identifier.other10.1016/j.jocs.2018.08.002
dc.identifier.urihttp://hdl.handle.net/2263/66867
dc.language.isoenen_ZA
dc.publisherElsevieren_ZA
dc.rights© 2018 Elsevier B.V. Notice : this is the author’s version of a work that was accepted for publication in Journal of Computational Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. A definitive version was subsequently published in Journal of Computational Science, vol. 28, pp. 155-167, 2018. doi : 10.1016/j.jocs.2018.08.002.en_ZA
dc.subjectModellingen_ZA
dc.subjectSimulationen_ZA
dc.subjectChemical transporten_ZA
dc.subjectModel reductionen_ZA
dc.subjectNonlinearen_ZA
dc.subjectNumerical techniquesen_ZA
dc.subjectNumerical modelsen_ZA
dc.subjectTransport propertiesen_ZA
dc.subjectNumerical methodsen_ZA
dc.subjectModelsen_ZA
dc.subjectDegrees of freedom (mechanics)en_ZA
dc.titleModelling and simulation of reactive transport phenomenaen_ZA
dc.typePostprint Articleen_ZA

Files

Original bundle

Now showing 1 - 1 of 1
Loading...
Thumbnail Image
Name:
Amikiya_Modelling_2018.pdf
Size:
1.07 MB
Format:
Adobe Portable Document Format
Description:
Postprint Article

License bundle

Now showing 1 - 1 of 1
Loading...
Thumbnail Image
Name:
license.txt
Size:
1.75 KB
Format:
Item-specific license agreed upon to submission
Description: