【摘要】 以油酸、二乙烯三胺、碘代正丁烷和肉桂醛等为原料，在不同温度下进行酰胺化、脱水环化、季铵化等过程设计合成一种适用于酸洗工况的咪唑希夫碱(MIX)缓蚀剂，通过失重实验、电化学实验、理论模拟和表面分析等方法系统的探究了MIX在1.00 mol/L HCl溶液中对Q235钢的缓蚀性能及其缓蚀机理。结果表明：在浓度为2.00 mmol/L时，采用失重实验，电化学阻抗(EIS)，动电位极化(Tafel)测得的缓蚀效率分别为98.64%,96.93%和99.15%，表明MIX在HCl环境中能够发挥优异的缓蚀性能。电化学实验和等温吸附模型表明，MIX是一种阴极型缓蚀剂，能够自发吸附在Q235钢表面，且遵循Langmuir吸附等温模型。MIX能够在Q235钢表面形成稳定的保护膜，进一步阻碍了腐蚀体系内电荷转移速率。XPS,EDS和FT-IR分析证实了MIX分子能够吸附在Q235钢表面，密度泛函理论(DFT)说明MIX的活性位点为苯基，咪唑环上的N原子，分子动力学(MD)进一步证实了MIX能够吸附在Q235钢表面。MIX在HCl环境中能够发挥优异的缓蚀性能，主要在于Q235钢表面形成了稳定的保护膜，降低了腐蚀体系内电荷转移速率。更多还原

【Abstract】 An imidazole Schiff base(MIX) corrosion inhibitor was synthesized via processes of amidation, dehydration cyclization, and quaternization at different temperatures with oleic acid, diethylenetriamine, n-butane iodide and cinnamaldehyde as raw material. The corrosion inhibition performance and mechanism of MIX on Q235 steel in 1.00 mol/L HCl were systematically investigated by means of mass loss measurement, electrochemical testing, and surface analysis methods, as well as theoretical simulations. The results showed that the corrosion inhibition efficiency determined by mass loss method, electrochemical impedance spectroscopy(EIS), and potentiodynamic polarization(Tafel) were 98.64%, 96.93%,and 99.15%, respectively for adding a dose of MIX 2 mmol/L in the 2.00 mmol/L HCl solution, indicating that MIX can exhibit excellent corrosion inhibition performance in HCl environments. Electrochemical testing and isothermal adsorption models indicate that MIX is a cathodic corrosion inhibitor that can spontaneously adsorb on the surface of Q235 steel, following the Langmuir adsorption isotherm model. MIX can form a stable protective film on the surface of Q235 steel, further hindering the charge transfer rate within the corrosion system. XPS, EDS and FT-IR analysis confirmed that MIX molecules may be adsorbed on the surface of Q235 steel. Density functional theory(DFT) showed that the active site of MIX was phenyl,and the N atom on the imidazole ring. Molecular dynamics(MD) further confirmed that MIX may be adsorbed on the surface of Q235 steel. MIX can exhibit excellent corrosion inhibition performance in HCl environments, mainly due to the formation of a stable protective film on the surface of Q235 steel, which reduces the charge transfer rate within the corrosion system.更多还原