Publication | Closed Access

Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations

Quantum Chemistry CalculationsEngineeringIonic ConductorMolecular Dynamics SimulationsPhysical ChemistryComputational ChemistryChemistryCellulose DissolutionMolecular KineticsDeep Eutectic SolventMolecular DynamicsBiophysicsSolution (Chemistry)