Extraction of pentachlorophenol and dichlorodiphenyltrichloroethane from aqueous solutions using ionic liquids

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. Init...

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Bibliographic Details
Published inJournal of industrial and engineering chemistry (Seoul, Korea) Vol. 18; no. 6; pp. 1983 - 1996
Main Authors Pilli, Santhi Raju, Banerjee, Tamal, Mohanty, Kaustubha
Format Journal Article
LanguageEnglish
Published Elsevier B.V 25.11.2012
한국공업화학회
Subjects
Aqueous solutions
Benchmarking
COSMO-RS
DDT
Endocrine disruption compounds
Extraction
Gaussian 03
Ionic liquids
Liquid–liquid extraction
Mathematical models
Pentachlorophenol
Screening
Wastewater treatment
화학공학
Ionic liquids
Endocrine disruption compounds
Liquid–liquid extraction
Gaussian 03
COSMO-RS
Wastewater treatment
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Summary: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.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
G704-000711.2012.18.6.015
ISSN:1226-086X
1876-794X
DOI:10.1016/j.jiec.2012.05.017