The corrosion inhibition efficiency of Betaine, 3-(N, N-dimethyldodecylammonio) propanesulfonate (SB3–12) and 2-(DodecyldiMethylaMMonio) acetate (BS-12) on Q235 steel in 1 mol⋅L⁻¹ hydrochloric acid (HCl) solution were studied at various inhibitor concentration and temperature by means of the weight loss method (WLM), electrochemical impedance spectroscopy (EIS), potential polarization curve, atomic force microscope (AFM), X-ray photoelectron spectroscopy (XPS), Raman spectra, scanning electron microscopy (SEM) and electronic energy spectrum analyzer (EDS). The weight loss results showed that the increase of inhibition efficiency mainly attributed to its high concentration. While Betaine had almost no protective effect for metals, SB3–12 and BS-12 were powerful inhibitors with the inhibition efficiency of 89.06% and 95.98%, respectively at 1 × 10⁻¹ mol⋅L⁻¹ at 30 °C. The blocking effect of BS-12 for metal corrosion that induced by HCl was stronger than SB3–12. The potential polarization curve potential demonstrated that SB3–12 and BS-12 were both mixed type corrosion inhibitors. The surface analysis results revealed that SB3–12 or BS-12 could be well adsorbed on the Q235 surface to form a compact membrane that is responsible for the protection of Q235 steel from corrosion. The theoretical calculations including quantum chemical calculations and molecular dynamics simulations, which based on density functional theory provided strong evidence for the close relationship between the molecular structure of inhibitor and its inhibition efficiency. Our study of corrosion inhibition efficiency of green betaine type surfactants laid a theoretical foundation for the application of betaine derivatives in metal anti-corrosion.

甜菜碱、3-(N, N-二甲基十二烷基铵) 丙磺酸盐 (SB3-12) 和 2-(十二烷基二甲基铵) 醋酸盐 (BS-12) 在 1 mol·L ^{-1中对 Q235 钢的缓蚀效率}采用失重法（WLM）、电化学阻抗谱（EIS）、电位极化曲线、原子力显微镜（AFM）、X射线光电子能谱（XPS）等方法研究了不同缓蚀剂浓度和温度下的盐酸（HCl）溶液)、拉曼光谱、扫描电子显微镜 (SEM) 和电子能谱分析仪 (EDS)。失重结果表明，抑制效率的提高主要归因于其高浓度。虽然甜菜碱对金属几乎没有保护作用，但 SB3-12 和 BS-12 是强效抑制剂，在 1 × 10 ^-1 mol·L ^{-1时的抑制效率分别为 89.06% 和 95.98%}在 30 °C。BS-12 对 HCl 引起的金属腐蚀的阻断作用强于 SB3-12。电位极化曲线电位表明SB3-12和BS-12均为混合型缓蚀剂。表面分析结果表明，SB3-12 或 BS-12 可以很好地吸附在 Q235 表面形成致密的膜，负责保护 Q235 钢免受腐蚀。基于密度泛函理论的量子化学计算和分子动力学模拟等理论计算为抑制剂分子结构与其抑制效率之间的密切关系提供了有力的证据。