Purdue University School of Chemical Engineering Graduate seminar series Prof. Christodoulos A. Floudas Department of Chemical and Biological Engineering Princeton University "Discovery and Computational Characterization of Novel Materials for Shape Selective Separations: Theoretical Advances and Applications" Tuesday, December 3, 2013 9:00-10:15 a.m. FRNY G140 Reception at 8:30 a.m. in Henson Atrium Abstract: In silico discovery of novel materials such as zeolites and metal organic frameworks, MOFs, offers great promise towards the development of energy and cost efficient separation processes for a plethora of important applications that include carbon dioxide capture, natural gas purification, air separation, propane/propylene, ethane/ethylene, and xylenes separations. In this seminar, we will focus on recent theoretical and computational advances towards the prediction and characterization of zeolites and metal organic frameworks for shape selective separations and catalysis. Part 1 will introduce a geometric and optimization-based framework for the two-dimensional characterization, analysis, and screening of zeolites. Part 2 will address the three-dimensional computational characterization and shape selectivity of zeolites and MOFs. Part 3 will present a new framework for the selection of novel materials for application to carbon dioxide capture through pressure swing adsorption, PSA, and vacuum swing adsorption, VSA, technologies. Part 4 will present computational findings for the discovery of novel materials for natural gas purification from carbon dioxide lean and rich mixtures. Bio: Dr. Floudas is the Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Professor of Chemical and Biological Engineering at Princeton University. His research interests lie at the interface of chemical engineering, applied mathematics, and operations research, with principal areas of focus including chemical process synthesis and design, process control and operations, discrete-continuous nonlinear optimization, local and global optimization, and computational chemistry and molecular biology. Professor Floudas is the author of two graduate textbooks, Nonlinear Mixed-Integer Optimization (Oxford University Press, 1995), and Deterministic Global Optimization (Kluwer Academic Publishers, 2000). He has co-edited ten monographs/books, has over 289 refereed publications, and is the chief co-editor of the Encyclopedia of Optimization (2nd edition, Springer, 2008). He is the recipient of numerous awards and honors for teaching and research that include the NSF Presidential Young Investigator Award, 1988; the Bodossaki Foundation Award in Applied Sciences, 1997; the Best Paper Award in Computers and Chemical Engineering, 1998; the Aspen Tech Excellence in Teaching Award, 1999; the 2001 AIChE Professional Progress Award for Outstanding Progress in Chemical Engineering; the 2006 AIChE Computing in Chemical Engineering Award; the 2007 Graduate Mentoring Award, Princeton University; Member of National Academy of Engineering, 2011; One thousand Global Experts, China 2012-2015; SIAM Fellow, 2013; TIAS Fellow and Eminent Scholar, 2013-14; AIChE Fellow, 2013; and National Award and HELORS Gold Medal, 2013.