Molecular simulations of hydrogen diffusion in underground porous media: Implications for storage under varying pressure, confinement, and surface chemistry conditions
Madeleine C. Oliver, Ruyi Zheng, Liangliang Huang, Mohamed Mehana
Topics & Concepts
Chemical physicsDiffusionPorous mediumHydrogenSurface diffusionPorosityMolecular dynamicsNanoporeMolecular diffusionChemistryMoleculeGaseous diffusionPore water pressureAdsorptionChemical engineeringMaterials scienceNanotechnologyThermodynamicsPhysical chemistryComputational chemistryOrganic chemistryGeologyEngineeringMetric (unit)EconomicsGeotechnical engineeringElectrodePhysicsOperations managementCO2 Sequestration and Geologic InteractionsGroundwater flow and contamination studiesSoil and Unsaturated Flow