Integration of complete elemental mass-balanced stoichiometry and aqueous-phase chemistry for bioprocess modelling of liquid and solid waste treatment systems – Part 5: Ionic speciation

Authors

  • CJ Brouckaert WASH R&D Centre, School of Engineering, University of KwaZulu-Natal, Durban 4041, South Africa
  • BM Brouckaert WASH R&D Centre, School of Engineering, University of KwaZulu-Natal, Durban 4041, South Africa
  • GA Ekama Water Research Group, Department of Civil Engineering, University of Cape Town, Rondebosch 7700, South Africa

DOI:

https://doi.org/10.17159/wsa/2022.v48.i1.3738

Keywords:

equilibrium speciation modelling, tableau representation, computational efficiency, primary search variables, pH, alkalinity

Abstract

Where aqueous ionic chemistry is combined with biological chemistry in a bioprocess model, it is advantageous to deal with the very fast ionic reactions in an equilibrium sub-model, as was frequently mentioned in the preceding papers in this series. This last paper in the series presents details of how of such an equilibrium speciation sub-model can be implemented, based on well-known open-source aqueous chemistry models. Specific characteristics of the speciation calculations which can be exploited to reduce the computational burden are highlighted. The approach is illustrated using the ionic equilibrium sub-model of a plant-wide wastewater treatment model as an example.

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Published

2022-01-26

Issue

Vol. 48 No. 1 January (2022): Water SA

Section

Research paper

License

Copyright (c) 2022 CJ Brouckaert, BM Brouckaert, GA Ekama

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.

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How to Cite

CJ Brouckaert, BM Brouckaert and GA Ekama (2022) “Integration of complete elemental mass-balanced stoichiometry and aqueous-phase chemistry for bioprocess modelling of liquid and solid waste treatment systems – Part 5: Ionic speciation”, Water SA, 48(1 January). doi:10.17159/wsa/2022.v48.i1.3738.