Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study
Somnath Bhowmick, Marta I. Hernández, José Campos-Martı́nez, Yury V. Suleimanov
Abstract
He. In particular, a remarkable tunneling effect is reported on the Gr2 membrane at 10 K, leading to a much larger permeation of the lighter species as compared to the heavier isotope. RPMD provides an efficient approach for studying the separation of He isotopes, taking into account quantum effects of light nuclei motions at low temperatures, which classical methods fail to capture.
Topics & Concepts
PolymerMembraneMolecular dynamicsHeliumRing (chemistry)NanoporeChemical physicsGraphyneMaterials scienceDynamics (music)ChemistryAnalytical Chemistry (journal)NanotechnologyComputational chemistryChromatographyOrganic chemistryPhysicsGrapheneAcousticsBiochemistryQuantum, superfluid, helium dynamicsHydrogen Storage and MaterialsGraphene research and applications