The in-depth influence mechanism of the functional groups and conjugated structure of aromatic inhibitor on the corrosion protection ability of CaAl layered double hydroxide (CaAl-LDH) in epoxy coatings was investigated by performing the inhibitor modification using three typical aromatic inhibitors. The electrochemistry impedance spectroscopy (EIS) measurement demonstrated that CaAl-LDH-MBT showed superior protection for carbon steel in epoxy coatings. Density functional theory (DFT) calculation and molecular dynamic (MD) simulation indicated that the aromatic conjugated structure with larger π electron clouds and heteroatoms with lone pair electrons would contribute to the enhanced corrosion protection.

中文翻译：

---

多种芳香族缓蚀剂改性CaAl-LDH在环氧涂料中的腐蚀防护研究对比实验与理论计算研究

通过对三种典型芳香族缓蚀剂进行缓蚀剂改性，深入研究芳香族缓蚀剂的官能团和共轭结构对环氧涂层中CaAl层状双氢氧化物（CaAl-LDH）的缓蚀能力的影响机制。电化学阻抗谱（EIS）测量表明CaAl-LDH-MBT对环氧涂层中的碳钢表现出优异的保护作用。密度泛函理论（DFT）计算和分子动力学（MD）模拟表明，具有较大π电子云的芳香族共轭结构和具有孤对电子的杂原子有助于增强腐蚀防护。