Electronic Structures of Sulfides and Leaching Behavior
Electronic Structures of Sulfides and Leaching Behavior
复制标题
DOI：
10.1007/978-1-4899-2274-8_2
复制
发表时间：
1984
期刊：
影响因子：
--
通讯作者：
D. Vaughan
中科院分区：
文献类型：
--
作者：
D. Vaughan
主要硫化物矿物（黄铁矿、黄铜矿、钴矿、辉铜矿、闪锌矿、方铅矿）的电子结构最好是用基于分子轨道理论和结合能带理论的模型来理解的。这种模型可以从分子轨道簇计算（例如，使用SCF-Xa散射方法）中开发出来，并通过与光谱学研究的结果进行比较，特别是使用x射线发射和x射线光电子能谱的研究结果进行测试和改进。这些模型为了解矿物的晶体化学和物理性质（包括其电学行为）提供了基础，并有可能用于更全面地了解矿物的表面性质。这些思想在理解和预测淋溶中的应用。将特别着重讨论铜和铁的硫化物的行为。
The electronic structures of major sulfide minerals (pyrite, chalcopyrite, covellite, chalcocite, sphalerite, galena) are best understood in terms of models based on molecular orbital theory and incorporating elements of band theory. Such models may be developed from molecular orbital cluster calculations (using the SCF-Xa scattered waye method, for example) and tested and refined by comparison with the results of spectroscopic studies, particularly those employing X-ray emission and X-ray photoelectron spectroscopies. The models provide a basis for understanding the crystal chemistry and physical properties of the minerals, including their electrical behavior, and potentially can be developed to gain a fuller understanding of the surface properties of the minerals. Application of these ideas in understanding and predicting leaching. behavior will be discussed with particular emphasis on the sulfides of copper and iron.