Large-Scale Screening of Zeolite Structures for CO Membrane Separations.

We have conducted large-scale screening of zeolite materials for CO/CH and CO/N membrane separation applications using the free energy landscape of the guest molecules inside these porous materials. We show how advanced molecular simulations can be integrated with the design of a simple separation p...

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Publicado en:	Journal of the American Chemical Society Vol. 135; no. 20; pp. 7545 - 7553
Autores principales:	Jihan Kim, Abouelnasr, Mahmoud, Li-Chiang Lin, Smit, Berend
Formato:	Artículo
Publicado:	American Chemical Society 5/22/2013
Materias:	Zeolites Carbon dioxide Membrane separation Free energy (Thermodynamics) Porous materials Algorithms Adsorption (Chemistry) Diffusion
Acceso en línea:	Ver este registro en EBSCOhost