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Using the ReaxFF reactive force field for molecular dynamics simulations of the spontaneous combustion of lignite with the Hatcher lignite model

Molecular DynamicsEngineeringNatural SciencesLigninCombustion TheoryNumerical SimulationSpontaneous CombustionCombustion EngineeringMolecular Dynamics SimulationsComputational ChemistryHatcher Lignite ModelChemistryChemical KineticsBiophysicsMultiscale Modeling