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Influence of Zeolite Surface in the Sorption of Methane from Molecular Dynamics

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Influence of Zeolite Surface in the Sorption of Methane from Molecular Dynamics

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Combariza Montañez, AF.; Sastre Navarro, GI. (2011). Influence of Zeolite Surface in the Sorption of Methane from Molecular Dynamics. JOURNAL OF PHYSICAL CHEMISTRY C. 115:13751-13758. doi:10.1021/jp202043t

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/28864

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Title: Influence of Zeolite Surface in the Sorption of Methane from Molecular Dynamics
Author: Combariza Montañez, Aldo Fabrizzio Sastre Navarro, German Ignacio
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Issued date:
Abstract:
We report results of molecular dynamics simulations on the transient and equilibrium surface adsorption of methane in a model Si-LTA zeolite structure with explicit silanol terminal groups. Using probability occupancy ...[+]
Subjects: External surfaces , Diffusion , Nanoporous materials , Atomistic simulation , Permeation , Membranes , Catalysts , crystals , Hydrocarbons
Copyrigths: Cerrado
Source:
JOURNAL OF PHYSICAL CHEMISTRY C. (issn: 1932-7447 )
DOI: 10.1021/jp202043t
Publisher version: http://pubs.acs.org/doi/ipdf/10.1021/jp202043t
Thanks:
Funding through Ministerio de Ciencia e Innovacion (project MAT2007-64682) and computing time from Red Espanola de Supercomputacion are gratefully acknowledged. A.F.C. acknowledges a research fellowship provided by the ...[+]
Type: Artículo

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