A novel model to predict gas-phase hydroxyl radical oxidation kinetics of polychlorinated compounds

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• 作者：Shuang Luo^a ; ^b ; ¹ ; Zongsu Wei^c ; ¹ ; Richard Spinney^d ; Zhihui Yang^a ; ^b ; Liyuan Chai^a ; ^b ; Ruiyang Xiao^a ; ^b ; ^{xiao.53@csu.edu.cn}
• 关键词：Polychlorinated compounds ; Second&ndash ; order rate constants ; Polarizability ; Hammett constant ; Meta&ndash ; substituents ; QSAR
• 刊名：Chemosphere
• 出版年：2017
• 出版时间：April 2017
• 年：2017
• 卷：172
• 期：Complete
• 页码：333-340
• 全文大小：998 K
• 卷排序：172

文摘

A novel aromatic meta–substituent grouping model for k of OH oxidation of PCBs. Polarizability is highly correlated to Hammett constant based on meta–substituents. This model features a combination of good predictability and simplicity.