(1. 中國科學(xué)院 海洋研究所，青島 266071；2. 中國科學(xué)院 研究生院，北京 100039)
摘 要: 通過量子化學(xué)計算、質(zhì)量損失測試、電化學(xué)測試和掃描電鏡等研究煙酸、吖啶和小檗堿等雜環(huán)化合物對熱鍍鋅鋼材在鹽酸介質(zhì)中的緩蝕作用。量子化學(xué)計算結(jié)果表明，3種化合物均具有多個吸附活性中心，且其前線軌道與鍍層表面鋅原子的前線軌道能夠相互作用，因而使得雜環(huán)化合物分子可通過在鍍層鋼材表面形成吸附膜而阻止熱鍍鋅鋼材在鹽酸介質(zhì)中的溶解。質(zhì)量損失和電化學(xué)測試結(jié)果表明：3種化合物在鹽酸介質(zhì)中對熱鍍鋅鋼材均具有良好的緩蝕作用，最高緩蝕效率可達(dá)99%以上；其中小檗堿的緩蝕效果最好，在濃度為1.0×10−4 mol/L時緩蝕效率就已達(dá)到80%以上；3種化合物均通過單分子層化學(xué)吸附方式吸附在鍍層表面，從而起到保護(hù)作用，是熱鍍鋅鋼材酸洗過程的環(huán)境友好型緩蝕劑。
關(guān)鍵字: 熱鍍鋅鋼材；緩蝕劑；量子化學(xué)計算；電化學(xué)測試
（1. Institute of Oceanology, Chinese Academy of Sciences,Qingdao 266071, China;2. Graduate School, Chinese Academy of Sciences, Beijing 100039, China）
Abstract:The inhibition effect of nicotinic acid, acridine and berberine on the hot dip galvanized steel in HCl solution was investigated by quantum chemistry calculation, mass loss test, electrochemical measurement, and scanning electron microscopy. Quantum chemistry calculation results show that these heterocyclic compounds have planar structure with a number of active centers, and their frontier orbitals can interact with those of Zn atom on the surface of coatings. Thus they might form an adsorption barrier film on the coating surface to decrease the corrosion rate of zinc. Mass loss test and electrochemical measurement results indicate that these compounds can perform good inhibition for the zinc coating in HCl solution, and the highest inhibition efficiency is up to 99%. Among them, berberine shows the best performance with inhibition efficiency up to 80% when at a relatively low concentration of 1.0×10−4 mol/L. These compounds can be adsorbed on the coating surface by chemical adsorption with single molecular layer to protect it. Therefore, nicotinic acid, acridine, and berberine are effective and environmental friendly corrosion inhibitors for galvanized steel in HCl solutions.
Key words: galvanized steel; inhibitor; quantum chemistry calculation; electrochemical measurement
