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Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
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Ion-exchange chromatography, or IEC, is a technique for separating ions based on their affinity for the stationary phase. The stationary phase is a cross-linked polymer resin with covalently attached ionic functional groups. The functional groups can be either positively charged (cation exchangers) or negatively charged (anion exchangers). A cation exchanger consists of a polymeric anion and active cations, while an anion exchanger is a polymeric cation with active anions. The choice of...
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Updated: Jul 2, 2025

Extraction of Organochlorine Pesticides from Plastic Pellets and Plastic Type Analysis
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Computational study on organochlorine insecticides extraction using ionic liquids.

Mohammad K Al Hassan1, Mustafa S Nasser1,2, Ibnelwaleed A Hussein1,2

  • 1Gas Processing Center, College of Engineering, P.O. Box 2713, Qatar University, Doha, Qatar.

Heliyon
|February 26, 2024
PubMed
Summary

Ionic liquids (ILs) show promise for removing organochlorine insecticides from water. Specific ILs, like 1,3-dimethyl-imidazolium chloride, demonstrate high selectivity and capacity for effective pesticide extraction and environmental remediation.

Keywords:
COSMO-RSComputational studyExtractionInsecticidesIonic liquidsOrganochlorineThermophysical charactaristicsWastewater

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Area of Science:

  • Environmental Chemistry
  • Green Chemistry
  • Separation Science

Background:

  • Insecticides contaminate water resources and pose environmental risks.
  • Ionic liquids (ILs) offer tunable properties and environmental benefits as alternative solvents.
  • ILs are effective for extracting pesticides due to their unique characteristics.

Purpose of the Study:

  • To screen ionic liquids (ILs) for efficient extraction of organochlorine insecticides from water.
  • To predict the selectivity and capacity of various ILs using computational methods.
  • To identify promising ILs for environmentally friendly pesticide remediation.

Main Methods:

  • Utilized COSMO-RS (Conductor-like Screening Model for Real Solvents) for IL screening.
  • Evaluated 165 ILs (33 cations, 5 anions) for extracting specific organochlorine insecticides.
  • Analyzed charge density profiles to understand interactions between ILs and insecticides.

Main Results:

  • Identified ILs with enhanced selectivity and capacity for insecticides, particularly halide/heteroatomic anions and phosphonium-based ILs.
  • 1,3-dimethyl-imidazolium chloride showed the highest selectivity (1074.06) for BHC.
  • 2-hydroxyethyl trimethyl ammonium chloride exhibited the highest capacity (84.0) for BHC extraction.

Conclusions:

  • Ionic liquids are effective and environmentally friendly solvents for extracting organochlorine insecticides from water.
  • Computational screening with COSMO-RS is a viable method for identifying optimal ILs.
  • Further development of ILs holds potential for advanced water remediation technologies.