Abstract

BROUCKAERT, CJ; BROUCKAERT, BM  and  EKAMA, GA. 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 [online]. 2022, vol.48, n.1, pp.32-39. ISSN 1816-7950.  http://dx.doi.org/10.17159/wsa/2022.v48.i1.3738.

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 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.

Keywords : equilibrium speciation; modelling; tableau representation; computational efficiency; primary search variables; pH; alkalinity.

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