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COD/DOC balanced models for the oxidation process of organic compounds
Brazilian Journal of Chemical Engineering ( IF 1.2 ) Pub Date : 2020-02-05 , DOI: 10.1007/s43153-020-00008-y
Edgardo Martín Contreras

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.

中文翻译:

有机化合物氧化过程的 COD/DOC 平衡模型

如今,有几种高级氧化和酶促工艺可用于去除有机化合物。数学模型对于优化操作条件和降低与研究氧化过程相关的成本至关重要。目前的工作涉及开发 COD/DOC 平衡模型以表示有机化合物的氧化过程的程序。该程序是一般性质的,因为没有对所用有机化合物或氧化剂的身份做出任何假设。使用开发的程序,建议的氧化途径总是满足元素和电子平衡。研究了氧化途径的几个例子以证明该程序的有用性。从特定路径的分析,可以找到关于模型系数可能值范围的几个限制。这些限制可用于通过使用不同类型的数据(例如 COD、DOC 和/或某些相关物种的实际浓度)来增强模型拟合程序的稳健性。这项工作将帮助研究人员使用任何氧化过程去除有机化合物。
更新日期:2020-02-05
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