• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Applied Surface Science >Adsorption of ethyl xanthate on ZnS(110) surface in the presence of water molecules: A DFT study
【24h】

Adsorption of ethyl xanthate on ZnS(110) surface in the presence of water molecules: A DFT study

机译：在水分子存在下黄药酸乙酯在ZnS（110）表面的吸附：DFT研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The interaction of collector with the mineral surface plays a very important role in the froth flotation of sphalerite. The adsorptions occurred at the interface between the mineral surface and waters; however most of DFT simulations are performed in vacuum, without consideration of water effect. Semiconductor surface has an obvious proximity effect, which will greatly influence the surface reactivity. To understand the mechanism of xanthate interacting with sphalerite surface in the presence of water molecules, the ethyl xanthate molecule adsorption on un-activated and Cu-activated ZnS(110) surface in the absence and presence of water molecules were performed using the density functional theory (DFT) method. The calculated results show that the adsorption of water molecules dramatically changes the properties of ZnS surface, resulting in decreasing the reactivity of surface Zn atoms with xanthate. Copper activation of ZnS surface changes the surface properties, leading to the totally different adsorption behaviors of xanthate. The presence of waters has little influence on the properties of Cu-activated ZnS surface. The xanthate S atom can interact with the surface S atom of Cu-substituted ZnS surface, which would result in the formation of dixanthogen. (C) 2016 Elsevier B.V. All rights reserved.
机译：捕收剂与矿物表面的相互作用在闪锌矿的泡沫浮选中起着非常重要的作用。吸附发生在矿物表面和水之间的界面处。但是，大多数DFT模拟都是在真空中进行的，没有考虑水的影响。半导体表面具有明显的邻近效应，这将极大地影响表面反应性。为了了解在水分子存在下黄药与闪锌矿表面相互作用的机理，使用密度泛函理论进行了在不存在和存在水分子的情况下，黄原酸乙酯吸附在未活化和铜活化的ZnS（110）表面上的研究。 （DFT）方法。计算结果表明，水分子的吸附极大地改变了ZnS表面的性能，从而降低了表面Zn原子与黄药的反应性。 ZnS表面的铜活化改变了表面性质，导致了黄药的完全不同的吸附行为。水的存在对Cu活化的ZnS表面的性质影响很小。黄原酸盐S原子可与Cu取代的ZnS表面的表面S原子相互作用，这将导致双黄原形成。 （C）2016 Elsevier B.V.保留所有权利。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号