Modeling and design of reacting systems with phase transfer catalysis

Abstract

Abstract Issues related to the design of biphasic (liquid) catalytic reaction operations are discussed. A chemical system involving the reaction of an organic-phase soluble reactant (A) with an aqueous-phase soluble reactant (B) in the presence of phase transfer catalyst (PTC) is modeled and based on it, some of the design issues related to improved reaction operation are analyzed. Since the solubility of the different forms of the PTC in the organic solvent affects ultimately the catalyst partition coefficients, therefore, the organic solvent plays an important role in the design of PTC-based reacting systems. A model-based strategy for the selection of the best organic solvent/catalyst that improves the reaction operation is highlighted for the reacting system: benzyl chloride (A) and sodium bromide (B) reacting through tetrabutylammonium bromide (PTC).