<i>In silico</i> COSMO-RS predictive screening of ionic liquids for the dissolution of plastic
Mood Mohan, Jay D. Keasling, Blake A. Simmons, Seema Singh
Abstract
Herein we report the screening of 9405 ionic liquids for plastic dissolution using the continuum solvation model (COMSO-RS) and the results are validated with experiments.
Topics & Concepts
Ionic liquidDissolutionIn silicoChemistryIonic bondingChemical engineeringEnvironmental chemistryInorganic chemistryIonOrganic chemistryCatalysisBiochemistryEngineeringGeneRecycling and Waste Management TechniquesMicroplastics and Plastic PollutionAdditive Manufacturing and 3D Printing Technologies