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Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites

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Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites

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Ghysels, A.; Moors, S.; Hemelsoet, K.; De Wispelaere, K.; Waroquier, M.; Sastre Navarro, GI.; Van Speybroeck, V. (2015). Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites. Journal of Physical Chemistry C. 119(41):23721-23734. doi:10.1021/acs.jpcc.5b06010

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Title: Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites
Author: Ghysels, A. Moors, S.L.C. Hemelsoet, K. De Wispelaere, K. Waroquier, M. Sastre Navarro, German Ignacio Van Speybroeck, V.
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Issued date:
Abstract:
[EN] The diffusion of olefins through 8-ring solid acid microporous zeolites is investigated using molecular dynamics simulations techniques and using a newly developed flexible force field. Within the context of the ...[+]
Copyrigths: Reserva de todos los derechos
Source:
Journal of Physical Chemistry C. (issn: 1932-7447 )
DOI: 10.1021/acs.jpcc.5b06010
Publisher:
American Chemical Society
Publisher version: http://dx.doi.org/10.1021/acs.jpcc.5b06010
Project ID: info:eu-repo/grantAgreement/EC/FP7/240483 info:eu-repo/grantAgreement/EC/H2020/647755/EU
Thanks:
The computational resources and services used were provided by Ghent University (Stevin Supercomputer Infrastructure). Funding was received from the Research Board of Ghent University (BOF), the Foundation of Scientific ...[+]
Type: Artículo

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