Research Initiation Award: Polymers for Selective Binding of Metal Ions

本研究的目的是开发聚合物， 将从水溶液中选择性地结合特定的金属离子 含有许多离子的溶液，并且可以可逆地 再生而不产生额外的离子废物。 一 这些聚合物的潜在应用将是去除 重金属离子的废水流。 使用 用于设计这种聚合物的大细胞配体是 研究了 聚合物结合的冠醚、冠醚、荚醚， 并鉴定了穴状体。 一系列试验研究 以建立最佳的聚合物设计。 聚合物结构特征使用13C NMR表征， 而NMR弛豫研究提供了关于 聚合物结合配体的微环境。 一种新型 一种生产聚合物粘结假冠的合成工艺 在自由基聚合过程中， 研究了 理论分析，包括蒙特卡罗和 进行分子模拟，以提供对 大细胞配体之间的潜在相互作用， 聚合物骨架和离子。

The objective of this research is to develop polymers which will selectively bind specific metal ions from aqueous solutions containing many ions, and may be reversibly regenerated without creating additional ionic wastes. A potential application of these polymers would be removal of heavy metal ions from aqueous waste streams. The use of macrocytic ligands for the design of such polymers is investigated. Polymer-bound crown ethers, coronands, podands, and cryptands characterized. A series of experimental studies are performed to establish the optimal polymer design. Polymer structural features are characterized using 13C NMR, while NMR relaxational studies provide information about the microenvironment of the polymer-bound ligand. A novel synthetic technique for producing polymer-bound pseudocrown ethers in situ during free radical polymerizations is also investigated. Theoretical analyses including Monte Carlo and molecular simulations are performed to provide insight into the underlying interactions among the macrocytic ligands, the polymer backbone, and the ions.