Abstract
Nowadays, several advanced oxidation and enzymatic processes are available for the removal of organic compounds. Mathematical models are crucial to optimize the operating conditions and to reduce the costs associated with the studied oxidation process. The present work deals with a procedure to develop COD/DOC balanced models to represent the oxidation process of organic compounds. The procedure is of general nature since no hypothesis is made regarding the identity of the organic compounds or the oxidant employed. Using the developed procedure, proposed oxidation pathways always fulfill elemental and electron balances. Several examples of oxidation pathways were studied to demonstrate the usefulness of the procedure. From the analysis of a particular pathway, several restrictions regarding the range of possible values of the model coefficients can be found. These restrictions can be used to enhance the robustness of the fitting procedure of the model by using different types of data, such as COD, DOC and/or the actual concentration of some relevant species. This work will help researchers in areas related to the removal of organic compounds using any oxidation process.
Highlights
Several advanced oxidation processes (AOP), such as the Fenton and Fenton-like reactions, photo or electro-Fenton, ozonation, and others are available for the oxidation of organic compounds (Babuponnusami and Muthukumar 2014; Doumic et al 2015; Inchaurrondo et al 2016; Zhou et al 2016)
The present work deals with a procedure to develop chemical oxygen demand (COD)/ dissolved organic carbon (DOC) balanced models to represent the oxidation process of organic compounds
Because no hypothesis is made regarding the identity of the organic compounds or the employed oxidant, using the procedure proposed in this work, the developed oxidation pathways always fulfill elemental and electron balances
Summary
Several advanced oxidation processes (AOP), such as the Fenton and Fenton-like reactions, photo or electro-Fenton, ozonation, and others are available for the oxidation of organic compounds (Babuponnusami and Muthukumar 2014; Doumic et al 2015; Inchaurrondo et al 2016; Zhou et al 2016). The kinetic analysis usually considers just a few of them and frequently there is no attempt to conciliate all the available data applying the restrictions imposed by material and charge balances, even when they exist. In this sense, COD/DOC balanced models overcome this deficiency, helping researchers to state correctly the mathematical
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