Selective O<sub>2</sub>/N<sub>2</sub> Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics

Selective O<sub>2</sub>/N<sub>2</sub> Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics

The separation of oxygen (O<sub>2</sub>) and nitrogen (N<sub>2</sub>) from air is a process of utmost importance nowadays, as both species are vital for numerous fundamental processes essential for our development. Membranes designed for their selective molecule separation ha...

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Bibliographic Details
Main Authors: Adrià Calzada, Francesc Viñes, Pablo Gamallo
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Nanomaterials
Subjects:
grazynes
density functional theory
molecular dynamics
membranes
gas separation
kinetics
Online Access:https://www.mdpi.com/2079-4991/14/24/2053
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