The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development

There are two classes of mixing sensitive reactions: competitive-consecutive and competitive-parallel. The yield of desired product from these coupled reactions depends on how fast the reactants are brought together. Recent experimental results have suggested that the mixing effect may depend strong...

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Main Authors: Syed Imran A. Shah, Larry W. Kostiuk, Suzanne M. Kresta
Format: Article
Language:English
Published: Wiley 2012-01-01
Series:International Journal of Chemical Engineering
Online Access:http://dx.doi.org/10.1155/2012/750162
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author Syed Imran A. Shah
Larry W. Kostiuk
Suzanne M. Kresta
author_facet Syed Imran A. Shah
Larry W. Kostiuk
Suzanne M. Kresta
author_sort Syed Imran A. Shah
collection DOAJ
description There are two classes of mixing sensitive reactions: competitive-consecutive and competitive-parallel. The yield of desired product from these coupled reactions depends on how fast the reactants are brought together. Recent experimental results have suggested that the mixing effect may depend strongly on the stoichiometry of the reactions. To investigate this, a 1D, dimensionless, reaction-diffusion model at the micromixing scale was developed. Assuming constant mass concentration and mass diffusivities, systems of PDE's were derived on a mass fraction basis for both types of reactions. Two dimensionless reaction rate ratios and a single general Damköhler number emerged from the analysis. The resulting dimensionless equations were used to investigate the effects of mixing, reaction rate ratio, and reaction stoichiometry. As expected, decreasing either the striation thickness or the dimensionless rate ratio maximizes yield, the reaction stoichiometry has a considerable effect on yield, and all three variables interact strongly.
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spelling doaj-art-22b05a81869942379a483d785a1c15f62025-02-03T01:24:39ZengWileyInternational Journal of Chemical Engineering1687-806X1687-80782012-01-01201210.1155/2012/750162750162The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model DevelopmentSyed Imran A. Shah0Larry W. Kostiuk1Suzanne M. Kresta2Department of Chemical & Materials Engineering, University of Alberta, 7th Floor, Electrical & Computer Engineering Research Facility (ECERF), 9107-116 Street, Edmonton, AB, T6G 2V4, CanadaDepartment of Mechanical Engineering, University of Alberta, 4-9 Mechanical Engineering Building, Edmonton, AB, T6G 2G8, CanadaDepartment of Chemical & Materials Engineering, University of Alberta, 7th Floor, Electrical & Computer Engineering Research Facility (ECERF), 9107-116 Street, Edmonton, AB, T6G 2V4, CanadaThere are two classes of mixing sensitive reactions: competitive-consecutive and competitive-parallel. The yield of desired product from these coupled reactions depends on how fast the reactants are brought together. Recent experimental results have suggested that the mixing effect may depend strongly on the stoichiometry of the reactions. To investigate this, a 1D, dimensionless, reaction-diffusion model at the micromixing scale was developed. Assuming constant mass concentration and mass diffusivities, systems of PDE's were derived on a mass fraction basis for both types of reactions. Two dimensionless reaction rate ratios and a single general Damköhler number emerged from the analysis. The resulting dimensionless equations were used to investigate the effects of mixing, reaction rate ratio, and reaction stoichiometry. As expected, decreasing either the striation thickness or the dimensionless rate ratio maximizes yield, the reaction stoichiometry has a considerable effect on yield, and all three variables interact strongly.http://dx.doi.org/10.1155/2012/750162
spellingShingle Syed Imran A. Shah
Larry W. Kostiuk
Suzanne M. Kresta
The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
International Journal of Chemical Engineering
title The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
title_full The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
title_fullStr The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
title_full_unstemmed The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
title_short The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
title_sort effects of mixing reaction rates and stoichiometry on yield for mixing sensitive reactions part i model development
url http://dx.doi.org/10.1155/2012/750162
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