NTE Phase II Proposal: Removal of Toxic Metal Ions from Contaminated Water by Dendrimer Enhanced Ultrafiltration

该合作方案的目标是执行一个综合的实验和多尺度模拟项目，以优化用于从水溶液中回收金属离子的连续小试规模树状大分子增强超滤(DEUF)系统的操作。重点将放在商用乙二胺(EDA)核、聚酰胺胺PAMAM树枝状大分子作为基于DEUF的工艺的功能材料上，以从工业废水中回收金属离子。研究活动将涉及(I)水溶液中质子和金属离子与树枝状大分子结合的测量和分子动力学模拟，(Ii)树枝状大分子吸附到聚合物超滤膜上的实验表征和介观模拟，以及(Iii)小试DEUF系统的评估和优化。通过实验测量和分子动力学模拟相结合的方法，探索质子和金属离子在树枝状大分子水溶液中结合的基本机理。就更广泛的影响而言，该项目将为HBCU提供教育机会。DEUF具有从受污染的公共供水中回收有毒金属离子的潜力。

The objective of this collaborative proposal is to perform an integrated experimental and multi-scale modeling project to optimize the operation of a continuous bench-scale dendrimer enhanced ultrafiltration (DEUF) system for recovering metal ions from aqueous solutions. The focus will be on commercially available ethylene diamine (EDA) core, poly(amidoamine) PAMAM dendrimers as functional materials for DEUF-based processes for recovering metal ions from industrial wastewater streams. Research activities will involve (i) measurements and molecular dynamics simulations of proton and metal ion binding to dendrimers in aqueous solutions, (ii) experimental characterization and mesoscale simulations of dendrimer sorption to polymeric ultrafiltration membranes, and (iii) evaluation and optimization of a bench-scale DEUF system. The fundamental mechanisms of proton and metal ion binding in aqueous solutions of dendrimers will be probed through a combination of experimental measurements and molecular dynamics simulations. In terms of the broader impacts, the project will provide educational opportunities at an HBCU. DEUF has the potential to recover toxic metal ions from contaminated public water supplies.