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
Keywords:equilibrium speciation modelling, tableau representation, computational efficiency, primary search variables, pH, alkalinity
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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Copyright (c) 2022 CJ Brouckaert, BM Brouckaert, GA Ekama
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