Molecular simulations of understanding the structure and separation thermodynamics of 5-Hydroxymethylfurfural from 1-Butyl-3-Methyl imidazolium tetrafluoroborate
Sweta Jha, Praveenkumar Sappidi
Topics & Concepts
Ionic liquidChemistryFurfuralIntermolecular forceTetrafluoroborateTetrahydrofuranSolvationSolventMolecular dynamicsHydroxymethylfurfuralGibbs free energyPhysical chemistryOrganic chemistryComputational chemistryMoleculeThermodynamicsCatalysisPhysicsCatalysis for Biomass ConversionIonic liquids properties and applicationsMesoporous Materials and Catalysis