A comprehensive review of mathematical models developed for the estimation of organic disinfection byproducts. (May 2020)

• Record Type: Journal Article
• Authors: Ike, Ikechukwu A.; Karanfil, Tanju; Ray, Schindra Kumar; Hur, Jin
• Is Part Of: Chemosphere. Volume 246(2020)
• Publication Date: 2020-05
• Subjects: Disinfection byproducts -- Mathematical models -- Chlorine -- Chromophores -- Fluorescence -- Electron delocalization; Pollution -- Periodicals; Pollution -- Physiological effect -- Periodicals; Environmental sciences -- Periodicals; Atmospheric chemistry -- Periodicals; 551.511
• DOI: 10.1016/j.chemosphere.2019.125797
• Languages: English
• ISSNs: 0045-6535

Abstract

Abstract: In this review, we present comparative and comprehensive views on the foundations, potentials and limitations of the previously reported mathematical models for the estimation of the concentration of disinfection byproducts (DBPs) generated during the chlor(am)ination of water. To this end, DBPs models were divided into two major categories: static variable (SV) and dynamic variable (DV) or differential models. In SV models, variables remain in their original form throughout a chlor(am)ination modelling period while DV models consider the changes driven by a chlor(am)ination treatment as the variables. This classification and the comparative study of the two types of models led to a better understanding of the assumptions, potentials, and limitations of the existing DBP models. In opposition to several claims in the literature, certain DV models based on UV absorbance/fluorescence failed to selectively track the chromophores responsible for DBP formation. In this critical review, a conceptual model for the photophysics of dissolved organic matter (DOM) based on the theory of electron delocalization was proposed to explain some inconsistent spectroscopic properties of DOM following chlor(am)ination and several unique photophysical properties of DOM. New insights for the development and deployment of mathematical models were also provided to estimate DBPs in various settings. Highlights: A comprehensive review covering all types of DBP and TOX predictive models. A conceptual model for DOM photophysics is proposed based on ED. Non-specificity of differential parameters is demonstrated in models. The non-uniqueness of differential parameters is presented.