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Diffusion of Trimethylbenzenes and Xylenes in Zeolites with 12-and 10-Ring Channels as Catalyst for Toluene-Trimethylbenzene Transalkylation

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Diffusion of Trimethylbenzenes and Xylenes in Zeolites with 12-and 10-Ring Channels as Catalyst for Toluene-Trimethylbenzene Transalkylation

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Toda-Calderón, J.; Corma Canós, A.; Sastre Navarro, GI. (2016). Diffusion of Trimethylbenzenes and Xylenes in Zeolites with 12-and 10-Ring Channels as Catalyst for Toluene-Trimethylbenzene Transalkylation. Journal of Physical Chemistry C. 120(30):16668-16680. https://doi.org/10.1021/acs.jpcc.6b03806

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/81558

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Title: Diffusion of Trimethylbenzenes and Xylenes in Zeolites with 12-and 10-Ring Channels as Catalyst for Toluene-Trimethylbenzene Transalkylation
Author: Toda-Calderón, Jordi Corma Canós, Avelino Sastre Navarro, German Ignacio
UPV Unit: Universitat Politècnica de València. Escuela Técnica Superior de Ingenieros Industriales - Escola Tècnica Superior d'Enginyers Industrials
Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Issued date:
Abstract:
A molecular dynamics study of the diffusion of trimethylbenzene (TMB) and xylene molecules involved in toluene and TMB transalkylation reaction has been performed over 6 different pure-silica zeolites, containing 10- and ...[+]
Subjects: MOLECULAR-DYNAMICS SIMULATION , LARGE-PORE ZEOLITES , INTERATOMIC POTENTIALS , SELECTIVE ALKYLATION , CRYSTAL-STRUCTURE , MSE TOPOLOGY , BENZENE , ZSM-5 , 1,2,4-TRIMETHYLBENZENE , DISPROPORTIONATION
Copyrigths: Cerrado
Source:
Journal of Physical Chemistry C. (issn: 1932-7447 )
DOI: 10.1021/acs.jpcc.6b03806
Publisher:
American Chemical Society
Publisher version: http://dx.doi.org/10.1021/acs.jpcc.6b03806
Project ID:
info:eu-repo/grantAgreement/MINECO//CTQ2015-70126-R/ES/DISEÑO DE CATALIZADORES ZEOLITICOS PARA LA OPTIMIZACION DE PROCESOS QUIMICOS DE INTERES INDUSTRIAL/
info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/
info:eu-repo/grantAgreement/MINECO//SVP-2013-067662/ES/SVP-2013-067662/
Thanks:
We thank Ministerio de Economia y Competitividad (MINECO) of Spain for funding through Project CTQ2015-70126-R, and the excellence programme Severo Ochoa (SEV-2012-0267). J.T. thanks MINECO of Spain for the SVP-2013-067662 ...[+]
Type: Artículo

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