Molecular Characterization of Membrane Gas Separation under Very High Temperatures and Pressure: Single- and Mixed-Gas CO<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/N<sub>2</sub> Permselectivities in Hybrid Networks

Molecular Characterization of Membrane Gas Separation under Very High Temperatures and Pressure: Single- and Mixed-Gas CO<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/N<sub>2</sub> Permselectivities in Hybrid Networks

This work illustrates the potential of using atomistic molecular dynamics (MD) and grand-canonical Monte Carlo (GCMC) simulations prior to experiments in order to pre-screen candidate membrane structures for gas separation, under harsh conditions of temperature and pressure. It compares at 300 °C an...

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Bibliographic Details
Main Authors: Sylvie Neyertz, David Brown, Saman Salimi, Farzaneh Radmanesh, Nieck E. Benes
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Membranes
Subjects:
hybrid organic–inorganic membranes
polyOAPS/POSS-imides
gas separation
high temperatures and pressures
molecular dynamics (MD) simulations
grand-canonical Monte Carlo (GCMC) sorption
Online Access:https://www.mdpi.com/2077-0375/12/5/526

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https://www.mdpi.com/2077-0375/12/5/526

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