GOALI: Collaborative Research: Development and Application of Monte Carlo Simulation Tools for HILIC, Ion Chromatography, and SERS Chemosensors

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In this collaborative GOALI award, co-funded by the Chemical Measurement and Imaging Program of the Division of Chemistry and the Biotechnology, Biochemical and Biomass Engineering and the Chemical and Biological Separations Programs of the Division of Chemical, Bioengineering, Environmental, and Transports Systems Division, Professor Joern Siepmann of the University of Minnesota, Prof. Jake Rafferty of North Hennepin Community College and their undergraduate and graduate student researchers will work collaboratively with scientists from the Dow Chemical company to model the molecular processes taking place in a variety of analytical and separations experiments, including: reversed-phase liquid chromatography, hydrophilic interaction liquid chromatrography, ion chromatography, and the analyte distribution in self-assembled monolayers used for surface-enhanced Raman scattering. The computational approaches that Profs. Siepmann, Rafferty and their students are developing will be combined with experimental data measured by Dr. Mark Schure and collaborators at Dow Chemical to better understand the process taking place in these experimental systems. The ultimate goal of these kinds of experiments is to improve these processes for science and engineering applications. The ability to cleanly and efficiently separate complex chemical mixtures into their separate components is of critical importance to a number of important industries, including the production of fine chemicals, pharmaceuticals, etc. The separation and purification steps in the production of these commodities is also one that can use significant quantities of materials and produce significant amount of waste. By developing better methods for separations, Siepmann, Rafferty and others hope to improve the selectivity and efficiency of these important processes. The graduate and undergraduate students working on this project will gain useful experience in academic and industrial settings, which will help prepare them well for a wide variety of careers in science and technology. This project will also involve the participation of high school and community college students in this research, which will help to excite and engage the next generation of scientists.