Crystallography and crystal chemistry of Fe-Al-Cu sulfates related to pollution created by acidic waters

拟议工作的目标是更好地了解铁、铁、铜和铝硫酸盐的晶体结构。这些矿物通常伴随着酸性水产生的环境污染，称为酸性矿山排水(AMD)。我建议用同步加速器X射线和中子衍射法研究一套精选的Fe、Cu和Al硫酸盐、Fe-Fe羟基硫酸盐(所谓的绿锈)和AI聚阳离子盐(如β-Keggin硫酸盐)。衍射研究的结果将得到27Al核磁共振(在铝多阳离子盐上)、56Fe穆斯堡尔谱(绿锈)和从头算密度泛函理论计算的补充。这些技术的结合将导致对与AMD有关的矿物的晶体结构的详尽描述。该项目的结果将适用于被AMD水域和酸雨污染的地点的修复工作。

The goal of the proposed work is a better understanding of crystal structures of Fe , Fe , Cu, and AI sulfates. These minerals commonly accompany environmental pollution generated by acidic waters, termed acid mine drainage (AMD). I propose to study a suite of selected Fe , Cu, and Al sulfates, Fe -Fe hydroxy-sulfates (so-called green rust), and AI polycationic salts (e.g., ¿-Keggin sulfate) by synchrotron X-ray and neutron diffraction. The results from diffraction studies will be complemented by 27Al nuclear magnetic resonance (on Al polycationic salts), 56Fe Mössbauer spectroscopy (green rust), and ab-initio density-functional theory calculations. Combination of these techniques will lead to exhaustive description of the crystal structures of the minerals associated with AMD. The results of this project will be applicable toward remediation efforts at sites polluted with AMD waters and acid rain.