Molecular simulations of the effects of substitutions on the dissolution properties of amorphous cellulose acetate
Yingxian Shi, Shen-Hui Li, Zhi-Ping Zhao
Topics & Concepts
DissolutionSolubilityChemistryAmorphous solidMoleculeDiffusionMolecular dynamicsSolventSteric effectsComputational chemistryCelluloseDensity functional theorySubstituentCrystallographyOrganic chemistryThermodynamicsPhysicsAdvanced Cellulose Research StudiesLignin and Wood ChemistryCatalysis for Biomass Conversion