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Title: A New Mechanistic Model for Liquid-Liquid Phase Transfer Catalysis: Reaction of Benzyl Chloride with Aqueous Ammonium Sulfide
Authors: Maity, Sunil K.
Sen, S
Pradhan, N C
Keywords: Phase transfer catalysis
Dynamic simulation
Reaction engineering
Multiphase reactions
Dibenzyl sulfide
Hydrogen sulfide
Issue Date: 2009
Publisher: Elsevier
Citation: Chemical engineering Science, 2009, In Press
Abstract: homogeneous phase transfer catalyst (PTC) has been developed based on extraction mechanism considering the equilibrium of catalyst and active catalysts at the interface.The proposed kinetic model considers thermodynamic framework based aqueous phase ionic equilibrium and the separate contributions of non-PTC and PTC-enhanced reactions towards the overall reactions. The developed model was then applied to an industrially important reaction of benzyl chloride with aqueous ammonium sulfide for synthesis of dibenzyl sulfide and benzyl mercaptan. The kinetic parameters of the developed model were estimated at different temperatures using an indigenously developed non-linear regression technique based on modified Levenberg-Marquardt algorithm. Sensitivity analysis was then performed under various experimental conditions using the estimated parameters and the results were compared with experimental observations. A good agreement was observed between experimental and calculated values with proper trends of the results.
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