A plant-wide aqueous phase chemistry module describing pH variations and ion speciation/pairing in wastewater treatment process models

Water Research
Xavier Flores-AlsinaKrist V Gernaey

Abstract

There is a growing interest within the Wastewater Treatment Plant (WWTP) modelling community to correctly describe physico-chemical processes after many years of mainly focusing on biokinetics. Indeed, future modelling needs, such as a plant-wide phosphorus (P) description, require a major, but unavoidable, additional degree of complexity when representing cationic/anionic behaviour in Activated Sludge (AS)/Anaerobic Digestion (AD) systems. In this paper, a plant-wide aqueous phase chemistry module describing pH variations plus ion speciation/pairing is presented and interfaced with industry standard models. The module accounts for extensive consideration of non-ideality, including ion activities instead of molar concentrations and complex ion pairing. The general equilibria are formulated as a set of Differential Algebraic Equations (DAEs) instead of Ordinary Differential Equations (ODEs) in order to reduce the overall stiffness of the system, thereby enhancing simulation speed. Additionally, a multi-dimensional version of the Newton-Raphson algorithm is applied to handle the existing multiple algebraic inter-dependencies. The latter is reinforced with the Simulated Annealing method to increase the robustness of the solver mak...Continue Reading

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Citations

Mar 8, 2016·Water Research·Emma Thompson BrewsterDamien J Batstone
Sep 12, 2015·Water Research·Christian Kazadi MbambaDamien J Batstone
Aug 16, 2016·Water Research·Dorottya S WágnerBenedek Gy Plósz
Aug 1, 2018·Biotechnology and Bioengineering·Hannah FeldmanKrist V Gernaey
Sep 7, 2017·Water Science and Technology : a Journal of the International Association on Water Pollution Research·Patrick HuberEric Fourest
Feb 14, 2017·Water Science and Technology : a Journal of the International Association on Water Pollution Research·T Fernández-ArévaloE Ayesa
May 4, 2018·Water Science and Technology : a Journal of the International Association on Water Pollution Research·Mauricio PatónJorge Rodríguez
May 28, 2019·Water Science and Technology : a Journal of the International Association on Water Pollution Research·H FeldmanK V Gernaey
Jul 10, 2020·Water Science and Technology : a Journal of the International Association on Water Pollution Research·A SecoJ Ferrer
Mar 15, 2019·Journal of Environmental Management·Vicente Pastor-PoquetGiovanni Esposito
May 25, 2021·Journal of Environmental Management·Vicente MonjeXavier Flores-Alsina
Jun 13, 2018·The Science of the Total Environment·Chrystelle N H AtinkpahounHenri H Soclo

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