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Combariza Montañez, AF.; Sastre Navarro, GI.; Corma Canós, A. (2011). Molecular Dynamics Simulations of the Diffusion of Small Chain Hydrocarbons in 8-Ring Zeolites. Journal of Physical Chemistry C. 115(4):875-884. https://doi.org/10.1021/jp102262n
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/28708
Título: | Molecular Dynamics Simulations of the Diffusion of Small Chain Hydrocarbons in 8-Ring Zeolites | |
Autor: | Combariza Montañez, Aldo F. | |
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Molecular dynamics (MD) simulations were performed to study the microscopic motion of methane, ethane, propene, and propane adsorbed in three pure silica zeolites with windows made of 8 SiO(4) tetrahedral units: Si-LTA, ...[+]
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Derechos de uso: | Cerrado | |
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Versión del editor: | http://pubs.acs.org/doi/abs/10.1021/jp102262n | |
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Funding through Ministerio de Ciencia e Innovacion (Project MAT2007-64682) and computing time from Red Espanola de Supercomputacion are gratefully acknowledged. A.F.C. thanks the Instituto de Tecnologia Quimica UPV-CSIC ...[+]
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