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n-Hexadecane hydrocracking Single-Event MicroKinetics on Pt/H-beta

Paper ID Volume ID Publish Year Pages File Format Full-Text
40768 45865 2012 11 PDF Available
Title
n-Hexadecane hydrocracking Single-Event MicroKinetics on Pt/H-beta
Abstract

The Single-Event MicroKinetic (SEMK) model constructed for gas-phase hydroconversion of light n-alkanes on large-pore USY zeolites was applied, for the first time, to the hydrocracking of n-hexadecane on a Pt/H-Beta catalyst. Despite the 12-ringed pore channels, shape selectivity was observed in the formation of ethyl side chains. Additionally, heavy feed molecules such as n-hexadecane lead to physisorption saturation of the catalyst pores by strong Van der Waals interactions of the long alkyl chains with the zeolite framework. Intermolecular interactions and packing efficiencies in the pores induce deviations from typical Henry-regime physisorption characteristics as the physisorption selectivity, which is expected to increase with increasing carbon number, appeared to be independent of the latter. Micropore saturation effects were described by the ‘size entropy’ which quantifies the difference in standard entropy loss between physisorption in the Henry regime and hindered physisorption on a saturated surface. The size entropy is proportional to the catalyst loading with physisorbed species and the adsorbate carbon number. The addition of a size entropy term in the SEMK model, amounting to 102 J mol−1 K−1 for a hexadecane molecule at full saturation, allowed accurately reproducing the contribution of secondary isomerization and cracking reactions, as quantified by means of a contribution analysis.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (149 K)Download as PowerPoint slideHighlights► The single-event concept was successfully applied to n-alkane hydrocracking on beta. ► The beta zeolite showed minor shape selectivity in the formation of ethyl branches. ► Micropore saturation effects were induced by strong physisorption of hexadecane. ► Secondary cracking reactions were allowed by incorporating size entropy effects.

Keywords
Hydrocracking; Single-Event MicroKinetic modeling; Beta zeolite; Micropore saturation; Size entropy
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n-Hexadecane hydrocracking Single-Event MicroKinetics on Pt/H-beta
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis A: General - Volumes 441–442, 28 October 2012, Pages 10–20
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us