Co-pyrolysis of subbituminous coal and lignin at isothermal and non-isothermal conditions: A ReaxFF molecular dynamics simulation
Zhen Sun, Kejiang Li, Yushan Bu, Zeng Liang, Weiming Zhan, Chunhe Jiang, Jianliang Zhang
Topics & Concepts
ReaxFFIsothermal processMolecular dynamicsLigninPyrolysisCoalMaterials scienceThermodynamicsChemistryChemical engineeringComputational chemistryOrganic chemistryEngineeringPhysicsInteratomic potentialThermochemical Biomass Conversion ProcessesIron and Steelmaking ProcessesCoal Combustion and Slurry Processing