Extraction of pentachlorophenol and dichlorodiphenyltrichloroethane from aqueous solutions using ionic liquids
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- 作者：Santhi Raju Pilli ; Tamal Banerjee ; Kaustubha Mohanty
- 关键词：COSMO-RS ; Endocrine disruption compounds ; Liquid&ndash ; liquid extraction ; Gaussian 03 ; Ionic liquids ; Wastewater treatment
- 刊名：Journal of Industrial and Engineering Chemistry
- 出版年：2012
- 出版时间：25 November, 2012
- 年：2012
- 卷：18
- 期：6
- 页码：1983-1996
- 全文大小：1534 K
文摘
This work reports the judicious screening of various ionic liquids for the extraction of pentachlorophenol (PCP) and dichlorodiphenyltrichloroethane (DDT) from aqueous solutions. COSMO-RS model was used for the prediction of selectivity of these compounds in aqueous medium at infinite dilution. Initial benchmarking studies were done by comparing experimental logarithmic octanol-water partition coefficient values (log KOW) with COSMO-RS predicted data on 13 poly chlorinated biphenyls (PCB's) similar in structure to that of PCP and DDT. 1015 possible ILs were then used to determine the best extractant for the removal of these two EDCs from aqueous solution.