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Kinetic modeling to estimate fundamental yield bounds for selective propylene oxidation over bifunctional catalysts

Paper ID Volume ID Publish Year Pages File Format Full-Text
44694 46056 2006 15 PDF Available
Title
Kinetic modeling to estimate fundamental yield bounds for selective propylene oxidation over bifunctional catalysts
Abstract

The selective oxidation of propylene via heterogeneous catalysts is one of the most successful commercial processes to produce acrylic acid (CH2CHCOOH). For this catalytic oxidation process where multiple products are possible, it is desirable to understand how a catalyst can control the reactivity of the system toward desired products. In this work, an elementary-step kinetic mechanism for the catalytic oxidation of propylene was constructed based on information in the literature and analogous surface and gas-phase reactions. This model was used in several distinct ways: to fit experimental data, to see if there are fundamental limits on the achievable yield, and to explore how the catalyst parameters would have to change to allow better yields. Such information can provide guidance to experimentalists designing new real-world catalysts with improved yields and selectivities, a process which is often expensive and time-consuming. From our modeling results, some byproducts are inevitable, but it appears that there is no fundamental reason that high (∼99%) yields of acrylic acid could not be obtained with the right catalyst, in either the one-step or the two-step process through acrolein. Some properties of any high-yield catalyst for acrylic acid production are outlined.

Keywords
Selective oxidation; Propylene; Acrylic acid; Optimization; Kinetic modeling
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Kinetic modeling to estimate fundamental yield bounds for selective propylene oxidation over bifunctional catalysts
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis A: General - Volume 303, Issue 2, 28 April 2006, Pages 177–191
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