Insights into the diffusion coefficient and adsorption energy of NH3 in MgCl2 from molecular simulation, experiments, and machine learning
Yu Hong-Lei, Wang De-xi, Gong Chen, Yunlong Li, Xueyi Ma
Topics & Concepts
AdsorptionDiffusionEnergy (signal processing)Materials scienceEffective diffusion coefficientChemical physicsThermodynamicsChemistryPhysical chemistryPhysicsMagnetic resonance imagingMedicineRadiologyQuantum mechanicsLuminescence Properties of Advanced MaterialsAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and Materials