Publication | Closed Access

A ReaxFF molecular dynamics (MD) simulation for the hydrogenation reaction with coal related model compounds

Molecular KineticsChemical EngineeringChemical KineticsReaxff Molecular DynamicsEngineeringHydrogen TransitionNatural SciencesHydrogenation ReactionComputational ChemistryMolecular MechanicQuantum ChemistryChemistryHydrogenModel CompoundsHydrogen CombustionMolecular Dynamics