...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Tribology International >The binding of antiwear additives to iron surfaces: quantum chemical calculations and tribological tests
【24h】

The binding of antiwear additives to iron surfaces: quantum chemical calculations and tribological tests

机译：抗磨添加剂与铁表面的结合：量子化学计算和摩擦学测试

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 molecular orbital parameters of lubrication additives and iron atom cluster were calculated by use of a quantum chemical method. The interaction pattern between the additive and metal atom cluster was discussed base on the approximate rule of orbital energy. By comparing some parameters that characterize the action strength between additive and metal, the correlations between the additive molecular structures and additive action abilities with metal are elementally obtained, which may be used as the basis for forecasting the tribological performances of additives. The prediction results obtained by quantum chemical calculations are in good accordance with the results of tribological tests. The molecular orbital parameters exhibit advantages for studying the quantitative structure-activity and structure property relationships of lubrication additives.
机译：采用量子化学方法计算了润滑油添加剂和铁原子团簇的分子轨道参数。根据轨道能量的近似规律，讨论了添加剂与金属原子团簇之间的相互作用方式。通过比较表征添加剂与金属之间作用强度的一些参数，初步获得了添加剂分子结构与金属的添加剂作用能力之间的相关性，可作为预测添加剂摩擦学性能的基础。通过量子化学计算获得的预测结果与摩擦学测试的结果非常吻合。分子轨道参数对于研究润滑添加剂的定量构效关系和结构性能关系具有优势。

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