Integration of complete elemental mass-balanced stoichiometry and aqueous-phase chemistry for bioprocess modelling of liquid and solid waste treatment systems – Part 1: The physico-chemical framework

Bioprocesses interact with the aqueous environment in which they take place. Currently integrated bioprocess and three-phase (aqueous–gas–solid) multiple strong and weak acid/base system models are being developed for a range of wastewater treatment applications, including anaerobic digestion, biological sulphate reduction, autotrophic denitrification, biological desulphurization and plant-wide wastewater treatment systems. In order to model, measure and control such integrated systems, a thorough understanding of the interaction between the bioprocesses and aqueous-phase multiple strong and weak acid/bases is required.  This first in a series of five papers sets out a conceptual framework and methodology for deriving bioprocess stoichiometric equations. It also introduces the relationship between alkalinity changes in bioprocesses and the underlying reaction stoichiometry, which is a key theme of the series. The second paper develops the stoichiometric equations for the main biological transformations that are important in wastewater treatment. The link between the modelling and measurement frameworks, which uses summary measures such as chemical oxygen demand (COD) and alkalinity, is described in the third and fourth papers. The fifth paper describes an equilibrium aquatic speciation algorithm which can be combined with bioprocess stoichiometry to provide integrated models of wastewater treatment processes