The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development. (17th July 2012)

• Record Type: Journal Article
• Authors: Shah, Syed Imran A.; Kostiuk, Larry W.; Kresta, Suzanne M.
• Other Names: Hashimoto Shunsuke Academic Editor.
• Is Part Of: International journal of chemical engineering. Volume 2012(2012)
• Publication Date: 2012-07-17
• Subjects: Chemical engineering -- Periodicals; Chemical engineering; Electronic journals; Periodicals; 660
• DOI: 10.1155/2012/750162
• Languages: English
• ISSNs: 1687-806X

Abstract

Abstract : 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.