Co-pyrolysis behavior and synergistic mechanism of sub-bituminous coal and polypropylene: A ReaxFF molecular dynamics simulation
Zhen Sun, Kejiang Li, Yushan Bu, Zeng Liang, Weiming Zhan, Chunhe Jiang, Jianliang Zhang
Topics & Concepts
ReaxFFPyrolysisCoalPolypropyleneMolecular dynamicsCoal tarActivation energyChemical engineeringChemistryMaterials scienceDecompositionThermal decompositiontar (computing)ThermodynamicsOrganic chemistryComputational chemistryEngineeringPhysicsInteratomic potentialProgramming languageComputer scienceThermochemical Biomass Conversion ProcessesThermal and Kinetic AnalysisLignin and Wood Chemistry