Theoretical insights into acid catalysis over polyoxometalates

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

Theoretical insights into acid catalysis over polyoxometalates

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

Chemical Engineering and Materials Science

Research output: Contribution to journal › Conference article › peer-review

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 language	English (US)
Pages (from-to)	143-144
Number of pages	2
Journal	ACS Division of Fuel Chemistry, Preprints
Volume	50
Issue number	1
State	Published - Jul 26 2005

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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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T1 - Theoretical insights into acid catalysis over polyoxometalates

AU - Neurock, Matthew

AU - Janik, Michael J.

AU - Davis, Robert J.

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N2 - 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).

AB - 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).

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Theoretical insights into acid catalysis over polyoxometalates

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