噁二唑缓蚀膜的制备及抗腐蚀性能  

Preparation and Anticorrosion Property of Oxadiazole Self-assembled Monolayers

作　　者：刘琳[1] 苏红玉[1] 邢锦娟[1] 张强[1,2] 钱建华 LIU Lin;SU Hong-yu;XING Jin-juan;ZHANG Qiang;QIAN Jian-hua(College of Chemistry and Chemical Engineering,Bohai University,Jinzhou 121013,Liaoning,China;State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian 116023,Liaoning,China)

机构地区：[1]渤海大学化学化工学院,辽宁锦州121013 [2]中国科学研究院大连物理化学研究所分子反应动力学国家重点实验室,辽宁大连116023

出　　处：《精细化工》2018年第10期1784-1790,共7页Fine Chemicals

基　　金：国家自然科学基金资助项目(21606023);辽宁省教育厅创新团队项目(LT2015001);辽宁省博士研究基金(201501198)~~

摘　　要：以二芳基酰肼为原料,合成2,5-二苯基-1,3,4-噁二唑（PPD）,在碳钢表面制备噁二唑自组装分子膜。采用电化学测试、表面分析等方法对PPD分子膜的制备条件及其在质量分数3.5%NaCl溶液中的缓蚀性能进行了分析,通过量化计算对缓蚀机理进行了进一步探讨。结果表明,PPD自组装膜的最佳组装条件是：在4 mmol/L PPD组装液中组装12 h,缓蚀效率达91.95%。XPS测试结果表明,PPD分子在钢表面形成了自组装膜。量化计算得到了缓蚀剂分子的活性位点,PPD的N原子同时具有较大的Fukui（-）（0.076）和Fukui（＋）（0.058）数值,说明它们既可以提供电子形成配位键,也可以接受电子形成反馈键。Self-assembled monolayers（SAMs） of 2,5-diphenyl-1,3,4-oxadiazole（PPD） synthesized from diarylhydrazide were fabricated on carbon-steel surface. The preparation conditions of PPD SAMs and the effects of PPD SAMs on the corrosion inhibition of carbon-steel in 3.5%（mass fraction） Na Cl solution were investigated by electrochemical measurement, surface analysis, and so on techniques. The inhibition mechanism of PPD was further discussed by quantum chemistry calculation. The results showed that when the concentration of PPD solution was 4 mmol/L and assembled time was 12 h, the best inhibition efficiency of the resulting sample was up to 91.95%. The results of X-ray photoelectron spectroscopy（XPS） analysis demonstrated that PPD could form excellent SAMs on carbon-steel surface. The active sites of corrosion inhibitor PPD were verified by quantum chemistry calculation. The N atoms of PPD have larger both Fukui（-）（0.076） and Fukui（＋）（0.058） values at the same time, indicating that they can not only provide electron to form coordination bonds, but also accept electrons to form feedback bonds.

关 键 词：电化学测试 2 5-二苯基-1 3 4-噁二唑 自组装膜 量化计算 建筑用化学品 

分 类 号：O646.6[理学—物理化学]