CRC: Collaborative Research: Structure-Sorption Relationships In Disordered Iron-oxyhydroxides

CRC：合作研究：无序羟基氧化铁的结构-吸附关系

• 批准号: 0714183
• 负责人: Clare Grey
• 金额: $ 170.5万
• 依托单位: SUNY at Stony Brook
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-09-01 至 2013-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0714183&HistoricalAwards=false
• 关键词: CRC; Collaborative; Research; Structure; Sorption

Clare Grey, John Parise, Brian Phillips, Richard Reeder (Stony Brook University); James Kubicki (Pennsylvania State University); Dane Morgan (University of Wisconsin); and Daniel Strongin (Temple University) are jointly supported to study nanostructured iron oxyhydroxides. Iron oxyhydroxides represent a large class of materials with many, often metastable, phases and polymorphs ranging from crystalline and ordered goethite to nanoparticulate ferrihydrites. These environmentally ubiquitous materials play a key role in the transport of natural substances. Furthermore, they are now being used in remediation efforts to bind pollutants and toxicants such as cadmium, lead and arsenate. This collaborative team will develop and apply new experimental and computational methods for determining bulk and surface structures of these materials in order to solve (1) short- and intermediate-range bulk and surface structures; (2) determine how these change as a function of humidity and pH; (3) develop a systematic link between materials structure and properties such as sorption and reactivity; (4) design materials with optimal sorption capacities. A range of experimental and computational techniques will be used, including x-ray diffraction and pair distribution function analysis, novel NMR approaches, EXAFS, TEM, ATR-IR, AFM, ab-initio electronic structure calculations and molecular dynamics simulations. Many of the x-ray experiments will be conducted at the National Synchrotron Light Source at Brookhaven National Laboratory.This project is funded through the Collaborative Research in Chemistry Program (CRC) and provides collaborative training and research opportunities in chemistry, geochemistry and materials science. High school students and undergraduates will be introduced to environmental chemistry and synchrotron methods at national facilities via real-time video conferencing.

Clare Grey、John Parise、Brian Phillips、Richard Reeder（石溪大学）； James Kubicki（宾夕法尼亚州立大学）；戴恩·摩根（威斯康星大学）；和 Daniel Strongin（天普大学）共同支持研究纳米结构羟基氧化铁。 羟基氧化铁代表一大类材料，具有许多通常是亚稳态的相和多晶型物，范围从结晶和有序针铁矿到纳米颗粒水铁矿。这些环境中普遍存在的材料在天然物质的运输中发挥着关键作用。此外，它们现在还被用于修复污染物和毒物，如镉、铅和砷酸盐。该合作团队将开发和应用新的实验和计算方法来确定这些材料的体积和表面结构，以解决（1）短程和中程体积和表面结构； (2) 确定这些变化如何随湿度和 pH 值变化； （3）建立材料结构和性能（例如吸附和反应性）之间的系统联系； (4)设计具有最佳吸附能力的材料。将使用一系列实验和计算技术，包括 X 射线衍射和对分布函数分析、新颖的 NMR 方法、EXAFS、TEM、ATR-IR、AFM、从头算电子结构计算和分子动力学模拟。许多 X 射线实验将在布鲁克海文国家实验室的国家同步加速器光源进行。该项目由化学合作研究计划 (CRC) 资助，并提供化学、地球化学和材料科学方面的合作培训和研究机会。将通过实时视频会议在国家设施中向高中生和本科生介绍环境化学和同步加速器方法。