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Adsorción compleja de alcanos lineales cortos en el marco metálico-orgánico flexible MIL-53 (Fe)

P L Llewellyn¹, P Horcajada, G Maurin

¹Laboratoire Chimie Provence, Université Aix-Marseille I-CNRS, UMR 6264, Centre de Saint Jérôme, 13397 Marseille, France. philip.llewellyn@univ-provence.fr

Journal of the American Chemical Society

|August 25, 2009

Resumen

El marco orgánico-metálico MIL-53 de hierro exhibe un comportamiento de adsorción complejo con alcanos cortos debido a múltiples aberturas de poro. Este estudio revela sus transiciones estructurales únicas durante la absorción de gas.

Área de la Ciencia:

Ciencia de los materiales Ciencia de los materiales.
Química Química es la química.
Ingeniería Química Ingeniería Química.

Sus antecedentes:

Las estructuras metálicas orgánicas flexibles (MOF) como MIL-53 exhiben transiciones estructurales tras la adsorción de moléculas invitadas.
Estudios previos en MIL-53 ((Al) y MIL-53 ((Cr) mostraron comportamientos de adsorción distintos.
El análogo del hierro, MIL-53 ((Fe), presenta un caso único debido a su naturaleza flexible.

Objetivo del estudio:

Para caracterizar el inusual comportamiento de adsorción de MIL-53 (Fe) con alcanos lineales cortos.
Para investigar las transformaciones estructurales de MIL-53 ((Fe) durante la adsorción.
Para dilucidar la relación entre la estructura de los poros y las propiedades de adsorción.

Principales métodos:

Combinación de técnicas experimentales y modelado computacional.
Las mediciones isotérmicas de adsorción de gas.
Difracción de polvo de rayos X in situ (XRD).
Simulaciones moleculares.

Principales resultados:

MIL-53 ((Fe) muestra complejas isotermas de adsorción en varios pasos para alcanos cortos.
Los pasos de adsorción ocurren a presiones dependientes de los alcanos.
Se identificaron cuatro tamaños distintos de apertura de poros durante el proceso de adsorción.
In situ XRD y simulaciones confirmaron cambios estructurales dinámicos.

Conclusiones:

La adsorción compleja de MIL-53 (Fe) es impulsada por múltiples y discretas aberturas de poros.
MIL-53 ((Fe) exhibe una flexibilidad estructural única distinta de sus contrapartes de Al y Cr.
La comprensión de estas dinámicas estructurales es crucial para el diseño de MOF para la separación y almacenamiento de gases.

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