@article{CJ Brouckaert_BM Brouckaert_GA Ekama_2022, title={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}, volume={48}, url={https://watersa.net/article/view/13129}, DOI={10.17159/wsa/2022.v48.i1.3738}, abstractNote={<p>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.</p>}, number={1 January}, journal={Water SA}, author={CJ Brouckaert and BM Brouckaert and GA Ekama}, year={2022}, month={Jan.} }