Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid–liquid extraction
Luis Itza Vazquez-Salazar, Michele Selle, Alex H. de Vries, Siewert J. Marrink, Paulo C. T. Souza
Abstract
New coarse-grained models for imidazolium-based ionic liquids (ILs) were developed using the Martini force field. They were able to not only reproduce the structural properties but also allow simulations of liquid–liquid extraction experiments.
Topics & Concepts
Ionic liquidExtraction (chemistry)Materials scienceLiquid–liquid extractionLiquid liquidChemistryChemical physicsChemical engineeringChromatographyOrganic chemistryCatalysisEngineeringIonic liquids properties and applicationsSurfactants and Colloidal SystemsExtraction and Separation Processes