Theoretical insights into acid catalysis over polyoxometalates

Matthew Neurock, Michael John Janik, Robert J. Davis

Research output: Contribution to journalConference article

Abstract

Potential mechanisms that control the isomerization of isobutane with n-butene and potential deactivation of heteropolyacids (HPA) by the loss of water are studied. The alkylation of isobutane and n-butene occurred via a complex reaction network that produces a broad distribution of products. The desired products for the alkylation of isobutane with n-butene are highly branched C8 alkanes, mainly trimethylpentanes. Competing reactions produced undesired side products, which led to catalyst deactivation. While Brönsted acid sites of zeolites are restricted to an oxygen of the aluminum tetrahedron, protons are mobile over the entire exterior of the HPA structure. This is an abstract of a paper presented at the ACS Fuel Chemistry Meeting (San Diego, CA Spring 2005).

Original languageEnglish (US)
Pages (from-to)143-144
Number of pages2
JournalACS Division of Fuel Chemistry, Preprints
Volume50
Issue number1
StatePublished - Jul 26 2005

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Butenes
Catalysis
Alkylation
Acids
Catalyst deactivation
Isomerization
Zeolites
Paraffins
Protons
Aluminum
Oxygen
Water

All Science Journal Classification (ASJC) codes

  • Energy(all)

Cite this

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abstract = "Potential mechanisms that control the isomerization of isobutane with n-butene and potential deactivation of heteropolyacids (HPA) by the loss of water are studied. The alkylation of isobutane and n-butene occurred via a complex reaction network that produces a broad distribution of products. The desired products for the alkylation of isobutane with n-butene are highly branched C8 alkanes, mainly trimethylpentanes. Competing reactions produced undesired side products, which led to catalyst deactivation. While Br{\"o}nsted acid sites of zeolites are restricted to an oxygen of the aluminum tetrahedron, protons are mobile over the entire exterior of the HPA structure. This is an abstract of a paper presented at the ACS Fuel Chemistry Meeting (San Diego, CA Spring 2005).",
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Theoretical insights into acid catalysis over polyoxometalates. / Neurock, Matthew; Janik, Michael John; Davis, Robert J.

In: ACS Division of Fuel Chemistry, Preprints, Vol. 50, No. 1, 26.07.2005, p. 143-144.

Research output: Contribution to journalConference article

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AU - Janik, Michael John

AU - Davis, Robert J.

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