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The effect of H2 and NH3 on the pyrolysis of coal model compounds based on reactive molecular dynamics simulation

Wenyang Liu, Hai Zhang, Kai Wang, Yutong Hu, Weidong Fan

2024Journal of Analytical and Applied Pyrolysis19 citationsDOI

Topics & Concepts

PyrolysisReaxFFPyridineChemistryPyrroleActivation energyCoalAmmoniaReaction mechanismAtmosphere (unit)CombustionInorganic chemistryOrganic chemistryMoleculeCatalysisHydrogen bondThermodynamicsPhysicsThermochemical Biomass Conversion ProcessesCoal Properties and UtilizationAdvanced Combustion Engine Technologies
The effect of H2 and NH3 on the pyrolysis of coal model compounds based on reactive molecular dynamics simulation | Litcius