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50 mg/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50 mg/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-Dimercapto-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 adsorp-tion 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.
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