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Título

Topological considerations on microporous adsorption processes in simple models for pillared interlayered clays

AutorAlmarza, Noé G. ; Gallardo, Alberto ; Martín, C. ; Guil, J. M. ; Lomba, Enrique
Palabras claveadsorption
molecular simulation
topology
Fecha de publicación22-dic-2009
EditorAmerican Institute of Physics
CitaciónJ. Chem. Phys. 131, 244701 (2009)
ResumenThe microporous structure of pillared interlayered clays is determined by their interlayer separation and the distribution of the pillars that separate their layers. The pillars provide stability to these quasi-two-dimensional high surface area materials. In this work we present a topological analysis of available and accessible volumes within various simple models of pillared interlayered clays. Each model is characterized by a distribution of pillars. Both fully ordered structures and disordered pillar distributions with either attractive or repulsive interpillar correlations are considered. Particular attention is paid to the problem of accessibility. In systems with similar degrees of porosity, even when cavities within each model might be able to host the same adsorbate molecules, their accessibility will strongly depend on the pillar distribution. The theoretical analysis presented in this work may facilitate the interpretation of experimental results, pointing out those quantities that are key to describe the texture of the porous material. © 2009 American Institute of Physics.
DescripciónCopyright (2009) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 131, 244701 (2009) and may be found at http://link.aip.org/link/?JCPSA6/131/244701/1
Versión del editorhttp://link.aip.org/link/?JCPSA6/131/244701/1
http://dx.doi.org/10.1063/1.3273209
URIhttp://hdl.handle.net/10261/20505
DOI10.1063/1.3273209
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