Litcius/Paper detail

Thermal pyrolysis behavior and mechanisms of kraft lignin using methane, H2, and H2O as reactive medium: A ReaxFF molecular dynamics simulation

Zeng Liang, Kejiang Li, Chunhe Jiang, Weiming Zhan, Yushan Bu, Jianliang Zhang, Alberto N. Conejo

2024International Journal of Hydrogen Energy11 citationsDOI

Topics & Concepts

ReaxFFMolecular dynamicsLigninPyrolysisMethaneChemistryChemical engineeringOrganic chemistryMaterials scienceComputational chemistryInteratomic potentialEngineeringLignin and Wood ChemistryThermochemical Biomass Conversion ProcessesBiochemical and biochemical processes