Solvent selection for biphasic extraction of 5-hydroxymethylfurfural <i>via</i> multiscale modeling and experiments
Zhaoxing Wang, Souryadeep Bhattacharyya, Dionisios G. Vlachos
Abstract
We report a comprehensive solvent selection framework where the COSMO-RS model is combined with high-throughput experiments at 298 and 423 K to formulate an extractant library for the reactive extraction of 5-hydroxymethylfurfural (HMF).
Topics & Concepts
5-hydroxymethylfurfuralSolventSelection (genetic algorithm)Extraction (chemistry)ChemistryHydroxymethylfurfuralSolvent extractionThroughputChromatographyOrganic chemistryComputer scienceCatalysisWirelessTelecommunicationsFurfuralArtificial intelligenceCatalysis for Biomass ConversionMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications