Molecular insight into pyrolysis processes via reactive force field molecular dynamics: A state-of-the-art review
Guixiang Li, Fangjuan Zheng, Qingfu Huang, Junjie Wang, Bo Niu, Yayun Zhang, Donghui Long
Topics & Concepts
ReaxFFMicroscale chemistryPyrolysisMolecular dynamicsForce field (fiction)Materials scienceReaction dynamicsChemistryPolymerBiochemical engineeringNanotechnologyComputational chemistryComputer scienceOrganic chemistryMoleculeEngineeringArtificial intelligenceInteratomic potentialMathematicsMathematics educationThermochemical Biomass Conversion ProcessesCarbon Nanotubes in CompositesEnergetic Materials and Combustion