Studies in the Fundamental Nature of Mineral Surface Reactivity

9628023 Hochella拟议的研究继续长期致力于重新思考，有时重新制定，矿物表面如何与地质环境沟通的看法。具体目标是：（1）表明复杂的矿物表面研究可以在天然矿物表面上进行，而不仅仅是断裂产生的表面。(2)在原子水平上探测未反应的赤铁矿、黄铁矿和磁黄铁矿表面不同位置的电子结构。(3)在原子水平上探测这些表面上反应产物的电子结构。(4)表征复杂的表面反应序列，并具体定义给定矿物表面上给定反应的“反应表面积”。(5)将新发现的基本反应机制和过程纳入描述宏观可观测量的动力学模型。将采用的方法包括：实验超高真空扫描隧道显微镜和光谱学，计算隧道图像和光谱的从头算水平，紫外线和X射线光电子能谱，低能电子衍射，扫描力显微镜和标准湿化学技术。所提出的研究的意义在于其确定基本反应参数和机制的能力。

9628023 Hochella The proposed research continues long-standing research committed to rethinking, and sometimes reformulating, perceptions of how mineral surfaces communicate with their geologic environment. The specific objectives are: (1) To show that sophisticated mineral surface investigations can be performed on natural mineral surfaces instead of only surfaces created by fracture. (2) To probe electronic structure of different sites on unreacted hematite, pyrite, and pyrrhotite surfaces at the atomic level. (3) To probe the electronic structure of reaction products on these surfaces at the atomic level. (4) To characterize complex surface reaction sequences, and to specifically define "reactive surface area" for a given reaction on a given mineral surface. (5) To incorporate newly identified fundamental reaction mechanisms and processes into kinetic models that describe macroscopic observables. The methods that will be employed include: experimental ultra-high vacuum scanning tunneling microscopy and spectroscopy, calculation of tunneling images and spectra at the ab initio level, ultra-violet and x-ray photoelectron spectroscopy, low energy electron diffraction, scanning force microscopy and standard wet chemistry techniques. The significance of the proposed research is in its ability to determine fundamental reaction parameters and mechanisms.