Abstract: Two new imidazoline corrosion inhibitors, 1-(2-ammonia ethyl)-2-oleic acid imidazole(A)and 1-(2-amino-thiourea ethyl)-2-oleic acid imidazole(B), were synthesized.The inhibition performance was evaluated by means of the static mass loss method and polarization curves.The mechanism of corrosion inhibition was studied by quantum chemistry calculation and molecular dynamics simulation.The results showed that both compounds A and B had good corrosion resistance in HCl solution, and they could promote both anodic and cathodic polarization of Q235 steel simultaneously.The inhibition performance of B was better than that of A.The best experimental application concentration was 150 mg稬^-1 in the range of 0 to 250 mg稬^-1.Moreover, the active regions were mainly distributed on the imidazole ring and the hydrophilic chain.The head groups could efficiently displace H₂O molecule, and corrosion was consequently restrained.Corrosion inhibition performance evaluated by the theoretic method agreed with the experimental results.

Key words: inhibitor, imidazoline, mass loss method, polarization curve, molecular dynamics simulations, quantum chemistry computation

摘要： 采用溶剂法合成了两种新型咪唑啉缓蚀剂1-(2-氨乙基)-2-油酸基咪唑啉(A)和1-(2-氨基-硫脲乙基)-2-油酸基咪唑啉(B),通过静态失重法和电化学极化曲线对其缓蚀性能进行了评价,并通过量子化学和分子动力学模拟方法对其缓蚀机理进行了研究。结果表明,两种缓蚀剂均具有较好的抗盐酸腐蚀性能,能同时抑制Q235钢的阴、阳极反应过程。在0～250 mg·L^-1浓度范围内,B的缓蚀性能优于A,且二者的最佳实验浓度均为150 mg·L^-1。此外,A、B的活性区域主要分布在咪唑环和亲水支链上,其分子头基能够有效驱替H₂O分子从而使缓蚀剂起到缓蚀作用,缓蚀性能的理论评价结果与实验规律相一致。

关键词: 缓蚀剂, 咪唑啉, 失重法, 极化曲线, 分子动力学模拟, 量子化学