Revealing the mechanism of phenoxyethanol-acid pretreatment for removing lignin from bamboo: kinetic analysis and simulation analysis
Ruolin Li, Zepeng Zhang, Xin Wang, Xiaoxue Zhao, Mi Li, Huanfei Xu, Caoxing Huang
Abstract
Kinetic model, molecular dynamics simulations, and density functional theory calculations were applied to investigate the delignification mechanism of bamboo residues (BR) in phenoxyethanol/H 2 SO 4 biphasic pretreatment system.
Topics & Concepts
BambooLigninMechanism (biology)ChemistryKinetic energyReaction mechanismOrganic chemistryComputational chemistryMaterials scienceCatalysisPhysicsQuantum mechanicsComposite materialBamboo properties and applications