Influence of zeolite pore structure on catalytic reactivity

A. Runstraat, van de; P.J. Stobbelaar; J. Grondelle, van; L.J. IJzendoorn, van; R.A. Santen, van

doi:10.1016/S0167-2991(97)80764-1

Influence of zeolite pore structure on catalytic reactivity

A. Runstraat, van de, P.J. Stobbelaar, J. Grondelle, van, L.J. IJzendoorn, van, R.A. Santen, van

Inorganic Materials & Catalysis

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

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Abstract

The influence of zeolite pore-size and shape on the hydro-isomerization of n-hexane was studied. Computer simulations and kinetic measurements, in combination with Positron Emission Profiling (PEP) experiments have been performed. Results showed that, for zeolites with a Al/Si molar ratio of less than 0.1 acidic protons had the same activity. Differences in reactivity are due to differences in the heat of adsorption. Smaller pores result in a higher steady state concentration of adsorbed substrate and adsorbed alkoxy species. Based on a kinetic model, and using experimental heats of adsorption and theoretical protonation energies, the activation energy of hydro-isomerization of n-hexane was found to be approximately 127 kJ/mol. This is consistent with results of a recent quantum chemical model of reactions catalysed by a zeolite proton.

Original language	English
Title of host publication	Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea
Editors	H. Chon, S.-K. Ihm, Y.S. Uh
Place of Publication	Amsterdam
Publisher	Elsevier
Pages	1253-1260
ISBN (Print)	0-444-82344-1
DOIs	https://doi.org/10.1016/S0167-2991(97)80764-1
Publication status	Published - 1997
Event	11th International Zeolite conference - Seoul, Korea, Democratic People's Republic of Duration: 12 Aug 1996 → 17 Aug 1996 Conference number: 11

Publication series

Name	Studies in Surface Science and Catalysis
Volume	105
ISSN (Print)	0167-2991

Conference

Conference	11th International Zeolite conference
Abbreviated title	IZC
Country/Territory	Korea, Democratic People's Republic of
City	Seoul
Period	12/08/96 → 17/08/96
Other	11th International Zeolite conference, Seoul, Korea, 12-17-August 1996

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Runstraat, van de, A., Stobbelaar, P. J., Grondelle, van, J., IJzendoorn, van, L. J., & Santen, van, R. A. (1997). Influence of zeolite pore structure on catalytic reactivity. In H. Chon, S-K. Ihm, & Y. S. Uh (Eds.), Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea (pp. 1253-1260). (Studies in Surface Science and Catalysis; Vol. 105). Elsevier. https://doi.org/10.1016/S0167-2991(97)80764-1

Runstraat, van de, A. ; Stobbelaar, P.J. ; Grondelle, van, J. et al. / Influence of zeolite pore structure on catalytic reactivity. Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. editor / H. Chon ; S.-K. Ihm ; Y.S. Uh. Amsterdam : Elsevier, 1997. pp. 1253-1260 (Studies in Surface Science and Catalysis).

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title = "Influence of zeolite pore structure on catalytic reactivity",

abstract = "The influence of zeolite pore-size and shape on the hydro-isomerization of n-hexane was studied. Computer simulations and kinetic measurements, in combination with Positron Emission Profiling (PEP) experiments have been performed. Results showed that, for zeolites with a Al/Si molar ratio of less than 0.1 acidic protons had the same activity. Differences in reactivity are due to differences in the heat of adsorption. Smaller pores result in a higher steady state concentration of adsorbed substrate and adsorbed alkoxy species. Based on a kinetic model, and using experimental heats of adsorption and theoretical protonation energies, the activation energy of hydro-isomerization of n-hexane was found to be approximately 127 kJ/mol. This is consistent with results of a recent quantum chemical model of reactions catalysed by a zeolite proton.",

author = "{Runstraat, van de}, A. and P.J. Stobbelaar and {Grondelle, van}, J. and {IJzendoorn, van}, L.J. and {Santen, van}, R.A.",

year = "1997",

doi = "10.1016/S0167-2991(97)80764-1",

language = "English",

isbn = "0-444-82344-1",

series = "Studies in Surface Science and Catalysis",

publisher = "Elsevier",

pages = "1253--1260",

editor = "H. Chon and S.-K. Ihm and Y.S. Uh",

booktitle = "Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea",

address = "Netherlands",

note = "11th International Zeolite conference, IZC ; Conference date: 12-08-1996 Through 17-08-1996",

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Runstraat, van de, A, Stobbelaar, PJ, Grondelle, van, J, IJzendoorn, van, LJ & Santen, van, RA 1997, Influence of zeolite pore structure on catalytic reactivity. in H Chon, S-K Ihm & YS Uh (eds), Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. Studies in Surface Science and Catalysis, vol. 105, Elsevier, Amsterdam, pp. 1253-1260, 11th International Zeolite conference, Seoul, Korea, Democratic People's Republic of, 12/08/96. https://doi.org/10.1016/S0167-2991(97)80764-1

Influence of zeolite pore structure on catalytic reactivity. / Runstraat, van de, A.; Stobbelaar, P.J.; Grondelle, van, J. et al.

Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. ed. / H. Chon; S.-K. Ihm; Y.S. Uh. Amsterdam : Elsevier, 1997. p. 1253-1260 (Studies in Surface Science and Catalysis; Vol. 105).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

TY - GEN

T1 - Influence of zeolite pore structure on catalytic reactivity

AU - Runstraat, van de, A.

AU - Stobbelaar, P.J.

AU - Grondelle, van, J.

AU - IJzendoorn, van, L.J.

AU - Santen, van, R.A.

N1 - Conference code: 11

PY - 1997

Y1 - 1997

N2 - The influence of zeolite pore-size and shape on the hydro-isomerization of n-hexane was studied. Computer simulations and kinetic measurements, in combination with Positron Emission Profiling (PEP) experiments have been performed. Results showed that, for zeolites with a Al/Si molar ratio of less than 0.1 acidic protons had the same activity. Differences in reactivity are due to differences in the heat of adsorption. Smaller pores result in a higher steady state concentration of adsorbed substrate and adsorbed alkoxy species. Based on a kinetic model, and using experimental heats of adsorption and theoretical protonation energies, the activation energy of hydro-isomerization of n-hexane was found to be approximately 127 kJ/mol. This is consistent with results of a recent quantum chemical model of reactions catalysed by a zeolite proton.

AB - The influence of zeolite pore-size and shape on the hydro-isomerization of n-hexane was studied. Computer simulations and kinetic measurements, in combination with Positron Emission Profiling (PEP) experiments have been performed. Results showed that, for zeolites with a Al/Si molar ratio of less than 0.1 acidic protons had the same activity. Differences in reactivity are due to differences in the heat of adsorption. Smaller pores result in a higher steady state concentration of adsorbed substrate and adsorbed alkoxy species. Based on a kinetic model, and using experimental heats of adsorption and theoretical protonation energies, the activation energy of hydro-isomerization of n-hexane was found to be approximately 127 kJ/mol. This is consistent with results of a recent quantum chemical model of reactions catalysed by a zeolite proton.

U2 - 10.1016/S0167-2991(97)80764-1

DO - 10.1016/S0167-2991(97)80764-1

M3 - Conference contribution

SN - 0-444-82344-1

T3 - Studies in Surface Science and Catalysis

SP - 1253

EP - 1260

BT - Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea

A2 - Chon, H.

A2 - Ihm, S.-K.

A2 - Uh, Y.S.

PB - Elsevier

CY - Amsterdam

T2 - 11th International Zeolite conference

Y2 - 12 August 1996 through 17 August 1996

ER -

Runstraat, van de A, Stobbelaar PJ, Grondelle, van J, IJzendoorn, van LJ, Santen, van RA. Influence of zeolite pore structure on catalytic reactivity. In Chon H, Ihm S-K, Uh YS, editors, Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. Amsterdam: Elsevier. 1997. p. 1253-1260. (Studies in Surface Science and Catalysis). doi: 10.1016/S0167-2991(97)80764-1

Influence of zeolite pore structure on catalytic reactivity

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