Experimental & Computational Design of High-Performance Polymer Membranes for CO2 Capture

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1159397BaraThis NSF award by the Chemical and Biological Separations program supports work by Professors Jason E. Bara and Christoffer H. Turner from the Department of Chemical and Biological Engineering at the University of Alabama.Membranes potentially offer a highly energy efficient technology by which CO2 can be captured from sources such as coal-fired power plants. While the currently available membranes present some desirable performance characteristics, only marginal gains can be made in CO2 transport rates via structural modification of these polymers. However, polymers containing hindered, basic groups offer unprecedented opportunities to develop membranes with much higher transport rates via facilitated transport of CO2. In the presence of water, these groups can promote the formation of bicarbonate (HCO3-) anion, which can enable extremely high transport rates for CO2, minimizing energy requirements and the cost of CO2 capture. Because of the large number of possible membrane materials that can be developed around this concept, as well as a crucial need for detailed, molecular-level simulation efforts in the field of polymer gas separation membranes, a fundamental understanding of the design, facilitated transport mechanisms and polymer structures of these membranes for CO2 capture will be most readily achieved via coordinated experimental and computational studies. The success of this project will significantly advance the fundamental understanding of polymer membranes and facilitated transport mechanisms for CO2 capture. Additionally, the results generated will be of interest to other major research areas, such as pharmaceuticals and biomaterials, where similar structures are used for their therapeutic, antifungal and antibacterial properties.The proposed project provides an excellent educational platform for graduate, undergraduate students, as well as outreach activities. The students involved with the project will benefit from an excellent synergy and training opportunities within the combined experimental and computational efforts. The PI and co-PI are directors of the NSF-REU Site "Engineering Solutions for Clean Energy Generation, Storage, and Consumption" and this research proposal can provide multiple synergies and opportunities for students in that program. Additionally, our project will provide the basis for a new Honors Forum class taught within the Chemical and Biological Engineering Department at UA. This is an interactive, discussion-oriented class, which focuses on a new (contemporary) topic each semester. Bara and Turner will co-teach this class, focusing on emerging technologies for addressing CO2-related issues. Funding provided through this proposal will enable additional short-term research opportunities for undergraduate students. During the studies, students will learn skills related to the use of polymer synthesis, membrane characterization, NMR, instrument design using LabView, as well as develop skills in molecular simulations and electronic structure calculations.