CAREER: Enhancing Selectivity and Yield of Complex Multi-phase Reactions

Rutgers University New Brunswick, New Brunswick NJ

Investigators

Abstract

ABSTRACT PI: Johannes G. Khinast Institution: Rutgers University Proposal Number: 0093129 This CAREER grant combines research and educational initiatives in the area of chemical reaction engineering, with a special emphasis on pharmaceutical and fine-chemical manufacture. The research portion focuses on the development of experimental and modeling techniques that allow a complete characterization and a fundamental understanding of multi-phase flows and their impact on selectivity and yield in complex reactions. The first specific aim is to create a new experimental system for the complete and concurrent characterization of flow fields, mixing patterns, and complex reactions throughout a reactor, using techniques such as planar laser-induced fluorescence, in-situ FTIR, and particle-imaging velocimetry. The selective hydrogenation of p-isobutyl acetophenone, a catalytic route developed by Hoechst to produce ibuprofen (an anti-inflammatory drug) will be used as a test reaction. The selectivity of this reaction depends strongly on the hydrodynamics. Based on experimental data, advanced multi-phase CFD tools will be developed that integrate bubble coalescence, mass transfer, catalyst distribution, and complex reaction chemistry. Another objective is the development of experimental and simulation tools that enable analyses of very fast reactions at gas-liquid interfaces. Finally, the effects of flow-regime transitions in multi-phase reactors, which are known to have strong influence on the reactor performance will be studied. The overall goal of the educational component is to provide a state-of-the-art education for students with wide varieties of backgrounds, to integrate - on all levels - research into education, and to extend outreach to the numerous companies and high schools in New Jersey. The first specific aim is the development of a graduate reaction engineering course that reflects modern developments critical to the discipline (computational molecular sciences, nanotechnology, membrane reactors, etc.) and which is designed to strengthen the ties between Rutgers and Hew Jersey's industry. Another objective is to develop a short course in pharmaceutical reaction engineering reflecting the rapid development of pharmaceutical technology, which calls for better training of next-generation pharmaceutical engineers.