A Computer Simulation of the Adsorption and Diffusion of Benzene and Toluene in the Zeolites Theta-1 and Silicalite

Author:

Nowak A. K.1,Cheetham A. K.1,Pickett S. D.1,Ramdas S.2

Affiliation:

1. a Chemical Crystallography Laboratory , University of Oxford , 9 Parks Road, Oxford , OX1 3PD , UK

2. b BP Research Centre , Chertsey Road, Sunbury-on-Thames , TW16 7LN , UK

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry

Cited by 56 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Molecular Dynamics of Hydrocarbons in Zeolites;Modelling and Simulation in the Science of Micro- and Meso-Porous Materials;2018

2. Diffusion of Aromatics in Silicalite-1: Experimental and Theoretical Evidence of Entropic Barriers;The Journal of Physical Chemistry C;2016-09-06

3. Dimensionality reduction of free energy profiles of benzene in silicalite-1: calculation of diffusion coefficients using transition state theory;Molecular Simulation;2013-12-24

4. Medium‐Pore (Ten‐Ring) Zeolites;Diffusion in Nanoporous Materials;2012-04-25

5. Use of Force Fields in Materials Modeling;Reviews in Computational Chemistry;2007-01-05

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