Theoretical insights into alkylation catalysis over polyoxometalates

Michael J. Janik, Robert J. Davis, Matthew Neurock

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Acid catalysis is at the heart of many hydrocarbon conversion processes including catalytic cracking, isomerization, oligomerization, and alkylation. The first three of these processes are typically carried out over solid acids. However, the alkylation of isobutane with n-butene is predominantly carried out using homogenous HF and H2SO4, which are highly corrosive and lead to waste disposal and catalyst separations issues. Heteropolyacids (HPA) are active for the alkylation of isobutane and n-butene but suffer from rapid catalyst deactivation. HPA are proposed to be superacids, and their acid strength has raised hope that their deactivation during alkylation may be surmountable. A discussion on the relationship between measurements of acid strength and the energetics of hydrocarbon conversion processes over HPA covers the reaction energetics of the individual steps in the alkylation over phosphotungstic acid (H3PW12O40); reaction energetics of alkene adsorption and oligomerization, alkylation, and hydride transfer steps; and prospects of developing a solid acid catalyst for the alkylation of isobutane and n-butene. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 10/30/2005-11/4/2005).

Original languageEnglish (US)
Title of host publication05AIChE
Subtitle of host publication2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings
PublisherAmerican Institute of Chemical Engineers
ISBN (Print)0816909962, 9780816909964
StatePublished - Jan 1 2005
Event05AIChE: 2005 AIChE Annual Meeting and Fall Showcase - Cincinnati, OH, United States
Duration: Oct 30 2005Nov 4 2005

Publication series

NameAIChE Annual Meeting Conference Proceedings
Volume2005

Other

Other05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period10/30/0511/4/05

Fingerprint

Alkylation
Catalysis
Acids
Butenes
Oligomerization
Hydrocarbons
Catalyst deactivation
Catalytic cracking
Catalysts
Isomerization
Waste disposal
Hydrides
Olefins
Adsorption

All Science Journal Classification (ASJC) codes

  • Energy(all)

Cite this

Janik, M. J., Davis, R. J., & Neurock, M. (2005). Theoretical insights into alkylation catalysis over polyoxometalates. In 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings (AIChE Annual Meeting Conference Proceedings; Vol. 2005). American Institute of Chemical Engineers.
Janik, Michael J. ; Davis, Robert J. ; Neurock, Matthew. / Theoretical insights into alkylation catalysis over polyoxometalates. 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. American Institute of Chemical Engineers, 2005. (AIChE Annual Meeting Conference Proceedings).
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Janik, MJ, Davis, RJ & Neurock, M 2005, Theoretical insights into alkylation catalysis over polyoxometalates. in 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. AIChE Annual Meeting Conference Proceedings, vol. 2005, American Institute of Chemical Engineers, 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States, 10/30/05.

Theoretical insights into alkylation catalysis over polyoxometalates. / Janik, Michael J.; Davis, Robert J.; Neurock, Matthew.

05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. American Institute of Chemical Engineers, 2005. (AIChE Annual Meeting Conference Proceedings; Vol. 2005).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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Janik MJ, Davis RJ, Neurock M. Theoretical insights into alkylation catalysis over polyoxometalates. In 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. American Institute of Chemical Engineers. 2005. (AIChE Annual Meeting Conference Proceedings).