Mechanistic investigation of hydrogen generation from water and magnesium catalyst reaction: Advanced reactive molecular dynamics simulation
Roshan Kumar, Sunil Kumar, Ansu J. Kailath, Ranjan K. Sahu
Topics & Concepts
CatalysisChemistryHydrogenMolecular dynamicsRadicalKineticsActivation energyMagnesiumHydrogen bondChemical kineticsHydrogen productionReaction rateOxygenInorganic chemistryPhysical chemistryComputational chemistryMoleculeOrganic chemistryPhysicsQuantum mechanicsHydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction