To stimulate, and to inhibit: A theoretical understanding of the sodium-catalytic mechanism of coke gasification
Qiang Lü, Rui Guo, Hang Zhang, Jieping Wang, Ting Lu, Guang‐Yue Li, Yinghua Liang
Topics & Concepts
ReaxFFCokeCatalysisChemistryAdsorptionCarbon fibersChemical engineeringSodiumReaction mechanismAlkali metalElementary reactionMolecular dynamicsMaterials sciencePhysical chemistryOrganic chemistryComputational chemistryKineticsComposite materialInteratomic potentialEngineeringPhysicsComposite numberQuantum mechanicsZeolite Catalysis and SynthesisThermochemical Biomass Conversion ProcessesSubcritical and Supercritical Water Processes