噻二唑型缓蚀剂缓蚀性能的研究  

Study on the Corrosion Inhibition Properties of Thiadiazole Derivatives

作　　者：刘琳[1] 彭丹[1] 张艳萍[1] 刘娇[1] 张强[1,2] 钱建华[1] 

机构地区：[1]渤海大学化学化工学院,辽宁省功能化合物的合成与应用重点实验室,锦州121013 [2]中国科学院大连化学物理研究所,分子反应动力学国家重点实验室,大连116023

出　　处：《材料导报》2016年第6期78-81,共4页Materials Reports

基　　金：国家自然科学基金面上项目(21176030);辽宁省创新团队(LT2015001);辽宁省第三批特聘教授计划

摘　　要：利用电化学测试和表面分析技术,研究了2,5-二巯基-1,3,4噻二唑(DMTD)在硫-乙醇溶液中对金属银、铜的缓蚀性能,结合量子化学计算和分子动力学模拟对DMTD在金属表面的吸附行为和缓蚀作用机理进行了分析讨论。结果表明,DMTD在50mg/L的硫-乙醇溶液中,对金属银、铜均起到较好的缓蚀作用。极化曲线结果表明,当缓蚀剂DMTD浓度达到50mg/L时,缓蚀效率可以达到92.3%。表面分析技术表明,缓蚀剂的加入在金属表面形成吸附膜,明显抑制了腐蚀速率。量化计算和分子动力学模拟得到了缓蚀剂分子的活性位点和缓蚀剂在金属表面的吸附形态。2,5-Dimereapto-1,3,4-thiadiazole （DMTD） inhibitive activity of silver and copper strips corrosion in sulfur-ethanol solution was investigated by electrochemical measurement and surface analysis techniques. The adsorption behavior at silver and copper surface and the inhibition mechanism of DMTD were discussed by the quantum chemical calculations and molecular dynamics simulation. The results showed that DMTD has an excellent corrosion inhibition performance in sulfur-ethanol solution. The most effective concentration of DMTD was 50 mg/L when the inhibition efficiency can reach 92. 3%. The surface analysis indicated that a protective film formed on metal surface and the corrosion was obviously inhibited. The active site of molecular was calculated by theoretical calculations and the molecular adsorption behavior at the Ag（111） and Cu（111） was studied by molecular dynamics simulation.

关 键 词：噻二唑 极化曲线 分子动力学模拟 

分 类 号：O646.6[理学—物理化学]