Prediction of octanol-air partition coefficients for PCBs at different ambient temperatures based on the solvation free energy and the dimer ratio

Temperature-dependent octanol-air partition coefficients (KOA) are of great importance in assessing the environmental behavior and fate of persistent organic pollutants including polychlorinated biphenyls (PCBs). Due to the tremendous amounts of time, effort and cost needed for the experimental dete...

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Veröffentlicht in:	Chemosphere (Oxford) 2020-03, Vol.242, p.125246-125246, Article 125246
Hauptverfasser:	Li, Wanran, Ding, Guanghui, Gao, Hong, Zhuang, Yuting, Gu, Xiaoyue, Peijnenburg, Willie J.G.M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Dimer Environmental Pollutants - analysis Models, Chemical Octanol-air partition coefficient Octanols - chemistry Polychlorinated biphenyls Polychlorinated Biphenyls - analysis Polychlorinated Biphenyls - chemistry Solvation free energy Solvents - chemistry Temperature Thermodynamics
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