• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Applied Surface Science >Experimental, density function theory calculations and molecular dynamics simulations to investigate the adsorption of some thiourea derivatives on iron surface in nitric acid solutions
【24h】

Experimental, density function theory calculations and molecular dynamics simulations to investigate the adsorption of some thiourea derivatives on iron surface in nitric acid solutions

机译：实验，密度泛函理论计算和分子动力学模拟，以研究某些硫脲衍生物在硝酸溶液中在铁表面的吸附

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 effects of thiourea derivatives, namely N-methyl thiourea (MTU), N-propyl thiourea (PTU) and N-allyl thiourea (ATU) on the corrosion behaviour of iron in 1.0 M solution of HNO_3 have been investigated in relation to the concentration of thiourea derivatives. The experimental data obtained using the techniques of weight loss, Tafel polarization and electrochemical impedance spectroscopy, EIS. The results showed that these compounds revealed a good corrosion inhibition, (ATU) being the most efficient and (MTU) the least. Computational studies have been used to find the most stable adsorption sites for thiourea derivatives. This information help to gain further insight about corrosion system, such as the most likely point of attack for corrosion on iron (110), the most stable site for thiourea derivatives adsorption and the binding energy of the adsorbed layer. The efficiency order of the inhibitors obtained by experimental results was verified by theoretical analysis.
机译：研究了硫脲衍生物，即N-甲基硫脲（MTU），N-丙基硫脲（PTU）和N-烯丙基硫脲（ATU）对铁在1.0M HNO_3溶液中的腐蚀行为的影响。硫脲衍生物。使用重量减轻，Tafel极化和电化学阻抗谱EIS的技术获得的实验数据。结果表明，这些化合物具有良好的缓蚀性能，其中（ATU）最有效，（MTU）最低。已经使用计算研究来发现硫脲衍生物的最稳定的吸附位点。这些信息有助于进一步了解腐蚀系统，例如对铁（110）腐蚀的最可能的攻击点，硫脲衍生物吸附的最稳定位置以及吸附层的结合能。通过理论分析验证了通过实验结果获得的抑制剂的效率顺序。

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