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Molecular Characterization of Membrane Gas Separation under Very High Temperatures and Pressure: Single- and Mixed-Gas CO(2)/CH(4) and CO(2)/N(2) 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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Detalles Bibliográficos
Autores principales:	Neyertz, Sylvie, Brown, David, Salimi, Saman, Radmanesh, Farzaneh, Benes, Nieck E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9143592/ https://www.ncbi.nlm.nih.gov/pubmed/35629852 http://dx.doi.org/10.3390/membranes12050526

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