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

1159397Bara由化学和生物分离项目颁发的NSF奖支持阿拉巴马大学化学和生物工程系的Jason E. Bara和Christoffer H. Turner教授的工作。膜有可能提供一种高能效的技术，通过这种技术可以从燃煤电厂等来源捕获二氧化碳。虽然目前可用的膜具有一些理想的性能特征，但通过对这些聚合物进行结构改性，只能在CO2传输速率方面取得边际收益。然而，含有受阻基的聚合物提供了前所未有的机会，可以通过促进二氧化碳的运输来开发具有更高运输速率的膜。在有水存在的情况下，这些基团可以促进碳酸氢盐（HCO3-）阴离子的形成，这可以实现极高的二氧化碳运输速率，最大限度地减少能源需求和二氧化碳捕获成本。由于围绕这一概念可以开发出大量可能的膜材料，以及对聚合物气体分离膜领域详细的分子水平模拟工作的关键需求，因此，通过协调的实验和计算研究，最容易实现对这些膜的设计，促进运输机制和聚合物结构的基本理解。该项目的成功将大大促进对聚合物膜的基本理解，并促进二氧化碳捕获的运输机制。此外，所产生的结果将对其他主要研究领域产生兴趣，例如药物和生物材料，其中类似的结构用于其治疗，抗真菌和抗菌特性。该项目为研究生和本科生提供了一个良好的教育平台，并提供了推广活动。参与该项目的学生将受益于实验和计算相结合的良好协同作用和培训机会。首席研究员和联合首席研究员是NSF-REU网站“清洁能源发电、储存和消费的工程解决方案”的负责人，这项研究计划可以为该项目的学生提供多种协同效应和机会。此外，我们的项目将为亚利桑那大学化学与生物工程系开设的一门新的荣誉论坛课程提供基础。这是一个互动的，以讨论为导向的课程，每学期关注一个新的（当代的）话题。Bara和Turner将共同教授这门课，重点关注解决二氧化碳相关问题的新兴技术。通过该提案提供的资金将为本科生提供额外的短期研究机会。在学习过程中，学生将学习与使用聚合物合成、膜表征、核磁共振、使用LabView设计仪器相关的技能，以及培养分子模拟和电子结构计算的技能。

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.