A mechanistic investigation of lignin dimer fast pyrolysis from reactive molecular dynamics simulation
Yuling Zhou, Qi Dang, Yun Wu, Taoning Lei
Topics & Concepts
ReaxFFGuaiacolProduct distributionMolecular dynamicsPyrolysisLigninChemistryLignocellulosic biomassYield (engineering)DimerCatecholMaterials scienceChemical engineeringComputational chemistryOrganic chemistryCatalysisEngineeringMetallurgyInteratomic potentialThermochemical Biomass Conversion ProcessesLignin and Wood ChemistryHeat transfer and supercritical fluids