Energetics of Oxides and Oxyhydroxides, Especially of Transition Metals

9725020纳夫洛茨基金属氧化物、氢氧化物和氢氧化物，特别是含有铝、铁、锰的氢氧化物是重要的，但在土壤、含水层、沉积物、温泉和喷口以及低温材料加工中，存在复杂的变量。由于这些重要的环境矿物具有复杂的多晶性、少量元素的掺入、可变的水化作用和细小的粒度，热力学和动力学因素难以分离，因此它们的形成和反应是困难的。使用现代合成和表征方法，将制备一套化学和结构定义的相，并通过PIS实验室独有的高温反应量热技术来确定它们的能量。探讨了晶体结构、比表面积、氧化态水化程度和微量元素含量对高能化合物的影响。所获得的系统学将为更好的溶解、沉淀和污染物传输的动力学模型以及理解这些阶段的生物中介过程提供一个起点。重点将放在Mn-O-H、Fe-O-H、Fe-Al-O-H和Co-O-H系统中的相。

9725020 Navrotsky Metal oxides, oxyhydroxides and hydroxides, particularly containing Al, Fe, Mn are important, but complex variables, phases in soils, aquifers, sediments, hot springs and vents and in low temperature materials processing. Because of complex polymorphism, incorporation of minor elements, variable hydration, and small particle size, the separation of thermodynamic and kinetic factors I the formation and reactivity of these important environmental minerals is difficult. Using modern synthesis and characterization methods, a suite of chemically and structurally defined phases will be prepared and their energetics determined by high temperature reaction calorimetric techniques unique to the PIs laboratory. The influence of crystal structure, surface area, oxidation state degree of hydration, and minor element content on energetics will be explored. The systematics obtained will be a starting point for better kinetic models of dissolution, precipitation and pollutant transport and for understanding biologically mediated processing of theses phases. Emphasis will be on phases in the Mn-O-H, Fe-O-H, Fe-Al-O-H and Co-O-H systems.