《Oxidation Mechanisms of the UV/Free Chlorine Process: Kinetic Modeling and Quantitative Structure Activity Relationships》 was written by Zhou, Shiqing; Zhang, Weiqiu; Sun, Julong; Zhu, Shumin; Li, Ke; Meng, Xiaoyang; Luo, Jinming; Shi, Zhou; Zhou, Dandan; Crittenden, John C.. Product Details of 88-67-5This research focused onwastewater oxidation UV chlorine kinetics model. The article conveys some information:
Recently, the UV/free chlorine process has gained attention as a promising technol. for destroying refractory organic contaminants in the aqueous phase. We have developed a kinetic model based on first-principles to describe the kinetics and mechanisms of the oxidation of organic contaminants in the UV/free chlorine process. Substituted benzoic acid compounds (SBACs) were chosen as the target parent contaminants. We determined the second-order rate constants between SBACs and reactive chlorine species (RCS; including Cl·, Cl-2· and ClO·) by fitting our model to the exptl. results. We then predicted the concentration profiles of SBACs under various operational conditions. We analyzed the kinetic data and predicted concentration profiles of reactive radicals (HO· and RCS), we found that ClO· was the dominant radicals for SBACs destruction. In addition, we established quant. structure activity relationships (QSARs) that can help predict the second-order rate constants for SBACs destruction by each type of reactive radicals using SBACs Hammett constants Our first-principles-based kinetic model has been verified using exptl. data. Our model can facilitate a design for the most cost-effective application of the UV/free chlorine process. For example, our model can determine the optimum chlorine dosage and UV light intensity that result in the lowest energy consumption. The experimental part of the paper was very detailed, including the reaction process of 2-Iodobenzoic acid(cas: 88-67-5Product Details of 88-67-5)
2-Iodobenzoic acid(cas: 88-67-5) belongs to organic iodides. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond.Iodo alkanes participate in a variety of organic synthesis reactions, which include the SimmonsSmith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.Product Details of 88-67-5
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com