Cargando…

Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks

We perform Grand Canonical Monte Carlo simulations on a lattice of Mg(2+) sites (GCMC) for adsorption of four binary A/B mixtures, CH(4)/N(2), CO/N(2), CO(2)/N(2), and CO(2)/CH(4), in the metal–organic framework Mg(2)(2,5-dioxidobenzedicarboxylate), also known as CPO-27–Mg or Mg–MOF-74. We present a...

Descripción completa

Detalles Bibliográficos
Autores principales: Kundu, Arpan, Sillar, Kaido, Sauer, Joachim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8146500/
https://www.ncbi.nlm.nih.gov/pubmed/34123036
http://dx.doi.org/10.1039/c9sc03008e