[blackwelder] School of Chemical Engineering Graduate seminar series Prof. Perla Balbuena Dept. of Chemical Engineering Texas A&M Univeristy "Modeling Interfacial Phenomena in Lithium-Ion and Lithium-Sulfur Batteries" March 10, 2015 9:00-10:15 a.m. FRNY G140 Reception at 8:30 a.m. in Henson Atrium Abstract: Interfacial phenomena are present in many chemical engineering problems. Here we focus on solid-electrolyte interfaces where not only mass and heat transfer but also chemical reactions may occur. To understand the details, we will use a "theoretical microscope" based on first-principles (density functional theory) analyses. We will discuss electron transfer reactions occurring from electrodes of lithium-ion and lithium-sulfur batteries causing the reduction of organic solvents and salts used as electrolytes. The impact of these phenomena on battery performance will be addressed. Bio: Prof. Balbuena received a BS degree at Universidad Tecnologica Nacional Argentina, MS from University of Pennsylvania, and PhD from the University of Texas at Austin, all in Chemical Engineering. She has been Assistant and Associate Professor at the University of South Carolina and since 2004 she is a Professor of Chemical Engineering and Professor of Materials Science and Engineering at Texas A&M University. Her work focuses on first principles analysis and design of materials. Recent research includes applications to fuel cell electrocatalysis, interfacial phenomena in batteries, shale gas thermodynamics, and separation of gas mixtures.