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Molecular Simulation Volume 27, 2001 - Issue 5-6
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Original Articles

Molecular Simulation of Adsorption of Guest Molecules in Zeolitic Materials: A Comparative Study of Intermolecular Potentials

Anne Boutin Materials Research Laboratory, University of California, Santa Barbara, CA, 93106, USA; Laboratoire de Chimie Physique, UMR 8000 Bǎtiment 349, Université de Paris-Sud, 91405, Orsay, France
,
Séverine Buttefey Materials Research Laboratory, University of California, Santa Barbara, CA, 93106, USA; Laboratoire de Chimie Physique, UMR 8000 Bǎtiment 349, Université de Paris-Sud, 91405, Orsay, France
,
Alain H. Fuchs Materials Research Laboratory, University of California, Santa Barbara, CA, 93106, USA; Laboratoire de Chimie Physique, UMR 8000 Bǎtiment 349, Université de Paris-Sud, 91405, Orsay, France
&
Anthony K. Cheetham Materials Research Laboratory, University of California, Santa Barbara, CA, 93106, USA
Pages 371-385 | Received 01 May 2001, Accepted 01 Jul 2001, Published online: 23 Sep 2006

Citations (7)

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Pierre Pascual, Anne Boutin, Philippe Ungerer, Bernard Tavitian & Alain H. Fuchs. (2004) Adsorption of Linear Alkanes in Zeolite Ferrierite from Molecular Simulations. Molecular Simulation 30:9, pages 593-599.
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Articles from other publishers (6)

German Sastre. 2018. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials 27 62 .
F.J. Keil. 2010. Adsorption and Phase Behaviour in Nanochannels and Nanotubes. Adsorption and Phase Behaviour in Nanochannels and Nanotubes 9 40 .
A. Wender, A. Barreau, C. Lefebvre, A. Di Lella, A. Boutin, P. Ungerer & A. H. Fuchs. (2007) Adsorption of n-alkanes in faujasite zeolites: molecular simulation study and experimental measurements. Adsorption 13:5-6, pages 439-451.
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Aurélie Wender, Alain Barreau, Catherine Lefebvre, Angela Di Lella, Anne Boutin, Philippe Ungerer & Alain H. Fuchs. (2016) Adsorption of n-Alkanes in Faujasite Zeolites: Molecular Simulation Study and Experimental Measurements. Adsorption Science & Technology 24:8, pages 713-735.
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P. Pascual & A. Boutin. (2004) Adsorption of hydrocarbons in zeolites from molecular simulations. The alkane–ferrierite system revisited. Phys. Chem. Chem. Phys. 6:9, pages 2015-2017.
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Pierre Pascual, Philippe Ungerer, Bernard Tavitian, Pascal Pernot & Anne Boutin. (2003) Development of a transferable guest–host force field for adsorption of hydrocarbons in zeolites : I. Reinvestigation of alkane adsorption in silicalite by grand canonical Monte Carlo simulation. Phys. Chem. Chem. Phys. 5:17, pages 3684-3693.
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