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摘要:
量子化学计算作为一种重要技术手段被广泛应用于硫化铅锌矿的计算模拟中，通过量子化学计算可以从微观角度了解硫化铅锌矿的一些基本性质，主要介绍了硫化铅锌矿的量子化学计算研究，分别阐述了方铅矿与闪锌矿在经过元素掺杂后的化学性质、电子结构和光学性能的变化，论述了不同药剂在闪锌矿与方铅矿表面的吸附，总结了近年来硫化铅锌矿在量子化学方面的发展，并指出该领域存在的问题和未来的发展方向。
Abstract:Quantum chemical calculation is widely used in computational simulation of lead-zinc sulphide as an important technical means. It can be used to understand some basic properties of lead-zinc sulphide ore. The research progress of quantum chemical calculation in the flotation of lead-zinc sulfide ore was introduced in this paper, and the change of the chemical properties, electronic structure and optical properties of galena and sphalerite with elemental doping were discussed respectively. In addition, the adsorption performance of different reagents on the sphalerite and galena were analyzed, and the existing problems in this field and future development directions were pointed out.
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Key words:
- galena /
- sphalerite /
- quantum chemistry /
- elemental doping /
- adsorption
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