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Comprender el almacenamiento de gas en jaulas de coordinación porosas cuboctaédricas
Gregory R Lorzing, Aeri J Gosselin, Benjamin A Trump1
1Center for Neutron Research , National Institute of Standards and Technology , Gaithersburg , Maryland 20899 , United States.
Journal of the American Chemical Society
|July 5, 2019
Resumen
Las jaulas de coordinación porosas muestran potencial para el almacenamiento de metano. La difracción de neutrones revela sitios específicos de adsorción dentro de las jaulas, destacando su idoneidad para aplicaciones de almacenamiento de gases.
Área de la Ciencia:
- Ciencias de los materiales
- Química
Sus antecedentes:
- Los sólidos moleculares porosos son cruciales para el almacenamiento y la separación de gases.
- Los datos estructurales limitados dificultan la optimización de estos materiales.
- Las jaulas de coordinación ofrecen una plataforma prometedora para la investigación del almacenamiento de gas.
Objetivo del estudio:
- Investigar las capacidades de almacenamiento de metano de las jaulas de coordinación isostructural M24 ((tBu-bdc) 24.
- Para elucidar los sitios de adsorción de metano y las interacciones mediante difracción de neutrones.
- Evaluar el potencial de estos materiales para el almacenamiento de metano a alta presión.
Principales métodos:
- Síntesis y caracterización de las jaulas de coordinación M24 (tBu-bdc) 24.
- Estudios de difracción de neutrones en las estructuras relacionadas M24 ((Me-bdc) 24 ((dabco) 6).
- Mediciones de adsorción de metano a alta presión.
- Modelado molecular para el análisis del sitio de adsorción.
Principales resultados:
- Las jaulas porosas presentan superficies de BET de hasta 1937 m2/g y una absorción de metano de hasta 143 cm3/STP.
- Las entalpias de adsorción de metano oscilan entre -15 y -22 kJ/mol.
- La difracción de neutrones identificó sitios específicos de adsorción dentro de las ventanas de la jaula y en las superficies exteriores, totalizando 56 sitios por jaula.
Conclusiones:
- Las jaulas M24L24 son materiales eficaces para el almacenamiento de metano.
- Comprender los sitios de adsorción es clave para optimizar la capacidad de almacenamiento de gas.
- La funcionalización de ligandos puede mejorar aún más el espacio de poros de extracción y el rendimiento de almacenamiento.
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