Understanding the CO2 capture potential of tetrapropylammonium-based multifunctional deep eutectic solvent via molecular simulation
Sara Rozas, Alberto Gutiérrez, Mert Atilhan, Alfredo Bol, Santiago Aparício
Topics & Concepts
Eutectic systemMolecular dynamicsDeep eutectic solventBifunctionalSorbentSorptionSupercritical fluidHydrogen bondChemical engineeringMaterials scienceIonic liquidChemistryAdsorptionChemical physicsMoleculeOrganic chemistryComputational chemistryCatalysisEngineeringAlloyCarbon Dioxide Capture TechnologiesPhase Equilibria and ThermodynamicsIonic liquids properties and applications