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中国腐蚀与防护学报  1995, Vol. 15 Issue (3): 229-236    
  研究报告 本期目录 | 过刊浏览 |
有机缓蚀剂的量子化学研究
唐子龙;宋诗哲
天津大学
SOME ASPECTS OF QUANTUM CHEMICAL STUDY ON ORGANIC INHIBITORS
Tang Zilong;Song Shizhe(Tianjin University)
全文: PDF(975 KB)  
摘要: 本文概述了缓蚀剂量子化学研究方面的成果。着重讨论了缓蚀性能与量子化学参数(如HOMO能量,LUMO能量,电荷分布等)以及分子的电荷分布与缓蚀机制间的关系,并分析了质子化作用对分子量化计算结果的影响,最后简述了缓蚀剂研究中使用的量子化学方法。
关键词 缓蚀剂量子化学方法缓蚀机理    
Abstract:The results of research on quantum chemical study for corrosion inhibitors were reviewed.The following aspects were mainly discussed:relations between the inhibition efficiency and quantum parameters(such as HOMO energys LUMO energy,electron density et al),inhibition mechanism and electron distribution of the inhibitors.The protonation effect on the results of quantum chemistry calculation was also analysed.Finally,the quantum chemistry methods used for investigation of corrosion inhibition were outlined.
Key wordsInhibitor;Quantum chemical study;Inhibitive mechanism
收稿日期: 1995-06-25     
基金资助:腐蚀科学国家重点实验室项目;;国家自然科学基金

引用本文:

唐子龙;宋诗哲. 有机缓蚀剂的量子化学研究[J]. 中国腐蚀与防护学报, 1995, 15(3): 229-236.
. SOME ASPECTS OF QUANTUM CHEMICAL STUDY ON ORGANIC INHIBITORS. J Chin Soc Corr Pro, 1995, 15(3): 229-236.

链接本文:

https://www.jcscp.org/CN/      或      https://www.jcscp.org/CN/Y1995/V15/I3/229

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