Prediction of solubility parameters of lignin and ionic liquids using multi-resolution simulation approaches
Mood Mohan, Kaixuan Huang, Venkataramana R. Pidatala, Blake A. Simmons, Seema Singh, Kenneth L. Sale, John M. Gladden
Abstract
Herein, we report the prediction of Hansen solubility parameters of lignin, ILs and DESs using multi-resolution simulation approaches. Solvents with closer solubility parameter values that of lignin are said to be better solvents for lignin removal.
Topics & Concepts
SolubilityLigninIonic liquidHildebrand solubility parameterResolution (logic)ChemistryOrganic chemistryComputer scienceArtificial intelligenceCatalysisIonic liquids properties and applicationsLignin and Wood ChemistryMesoporous Materials and Catalysis