Adsorption selectivity of benzene and propene mixtures for various zeolites

S. Ban; A.N.C. van Laak; P.E. de Jongh; J.P.J.M. van der Eerden; T.J.H. Vlugt

Adsorption selectivity of benzene and propene mixtures for various zeolites

S. Ban, A.N.C. van Laak, P.E. de Jongh, J.P.J.M. van der Eerden, T.J.H. Vlugt

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Abstract

The nine-site benzene model of Zhao et al. (J. Phys. Chem. B 2005, 109, 5368-5374) has been used to systematically study the adsorption of benzene, propene, and benzene-propene mixtures in zeolites mordenite, Y, , silicalite, and MCM22. Interaction parameters for the benzene-zeolite interactions have been fitted to available adsorption experiments from literature. As an independent check of our force field, we have performed additional adsorption experiments using the TEOM technique and excellent agreement between simulations and TEOM experiments was found. High adsorption selectivities for benzene in benzene-propene mixtures were found in all zeolites, except for silicalite.

Original language	Undefined/Unknown
Pages (from-to)	17241-17248
Number of pages	8
Journal	Journal of Physical Chemistry C
Volume	111
Issue number	46
Publication status	Published - 2007

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Cite this

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title = "Adsorption selectivity of benzene and propene mixtures for various zeolites",

abstract = "The nine-site benzene model of Zhao et al. (J. Phys. Chem. B 2005, 109, 5368-5374) has been used to systematically study the adsorption of benzene, propene, and benzene-propene mixtures in zeolites mordenite, Y, , silicalite, and MCM22. Interaction parameters for the benzene-zeolite interactions have been fitted to available adsorption experiments from literature. As an independent check of our force field, we have performed additional adsorption experiments using the TEOM technique and excellent agreement between simulations and TEOM experiments was found. High adsorption selectivities for benzene in benzene-propene mixtures were found in all zeolites, except for silicalite.",

author = "S. Ban and {van Laak}, A.N.C. and {de Jongh}, P.E. and {van der Eerden}, J.P.J.M. and T.J.H. Vlugt",

year = "2007",

language = "Undefined/Unknown",

volume = "111",

pages = "17241--17248",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Adsorption selectivity of benzene and propene mixtures for various zeolites

AU - Ban, S.

AU - van Laak, A.N.C.

AU - de Jongh, P.E.

AU - van der Eerden, J.P.J.M.

AU - Vlugt, T.J.H.

PY - 2007

Y1 - 2007

N2 - The nine-site benzene model of Zhao et al. (J. Phys. Chem. B 2005, 109, 5368-5374) has been used to systematically study the adsorption of benzene, propene, and benzene-propene mixtures in zeolites mordenite, Y, , silicalite, and MCM22. Interaction parameters for the benzene-zeolite interactions have been fitted to available adsorption experiments from literature. As an independent check of our force field, we have performed additional adsorption experiments using the TEOM technique and excellent agreement between simulations and TEOM experiments was found. High adsorption selectivities for benzene in benzene-propene mixtures were found in all zeolites, except for silicalite.

AB - The nine-site benzene model of Zhao et al. (J. Phys. Chem. B 2005, 109, 5368-5374) has been used to systematically study the adsorption of benzene, propene, and benzene-propene mixtures in zeolites mordenite, Y, , silicalite, and MCM22. Interaction parameters for the benzene-zeolite interactions have been fitted to available adsorption experiments from literature. As an independent check of our force field, we have performed additional adsorption experiments using the TEOM technique and excellent agreement between simulations and TEOM experiments was found. High adsorption selectivities for benzene in benzene-propene mixtures were found in all zeolites, except for silicalite.

M3 - Article

SN - 1932-7447

VL - 111

SP - 17241

EP - 17248

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 46

ER -