Molecular hydrogen isotope separation by a graphdiyne membrane: a quantum-mechanical study
Esther García‐Arroyo, José Campos-Martı́nez, Massimiliano Bartolomei, Fernando Pirani, Marta I. Hernández
Abstract
selectivities are found to reach maximum values of about 6 and 21 at ≈50 and 45 K, respectively, a feature due to a balance between zero-point energy and tunneling effects in the transport dynamics. Permeances at these temperatures are below recommended values for practical applications, however, at slightly higher temperatures (77 K) they become acceptable while the selectivities preserve promising values, particularly for the separation of tritium.
Topics & Concepts
DeuteriumHydrogenMolecular dynamicsKinetic isotope effectMoleculeQuantumMembraneSolid hydrogenIsotopeChemistryThermal fluctuationsChemical physicsWork (physics)PhysicsAtomic physicsThermodynamicsComputational chemistryQuantum mechanicsBiochemistryGraphene research and applicationsMembrane Separation and Gas TransportMuon and positron interactions and applications