CF<sub>4</sub> Capture and Separation of CF<sub>4</sub>–SF<sub>6</sub> and CF<sub>4</sub>–N<sub>2</sub> Fluid Mixtures Using Selected Carbon Nanoporous Materials and Metal–Organic Frameworks: A Computational Study
Ioannis Skarmoutsos, Emmanuel Ν. Koukaras, Emmanuel Klontzas
Abstract
fluid mixtures has therefore been investigated, to provide deeper insights into the molecular scale phenomena taking place in the investigated nanoporous materials. The results obtained have revealed that under near-ambient pressure conditions, the carbon-based nanoporous materials exhibit a higher gravimetric fluid uptake and thermodynamic separation selectivity. The SIFSIX-2-Cu material exhibits a slightly higher kinetic selectivity at ambient and high pressures.
Topics & Concepts
NanoporousGrapheneMaterials scienceCarbon nanotubeCarbon fibersSelectivityGravimetric analysisAdsorptionMolecular dynamicsChemical engineeringNanotechnologyChemistryPhysical chemistryOrganic chemistryCatalysisComputational chemistryComposite materialComposite numberEngineeringMembrane Separation and Gas TransportPhase Equilibria and ThermodynamicsCarbon Dioxide Capture Technologies