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

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 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.