Two ionic liquids (ILs), (E)-4-(2-(4-fluorobenzylidene)hydrazinecarbonyl)-1-propylpyridin-1-ium iodide (Ipyr-C₃H₇) and (E)-4-(2-(4-fluorobenzylidene) hydrazinecarbonyl)-1-pentylpyridin-1-ium iodide (Ipyr-C₅H₁₁) were evaluated as novel inhibitors for mild steel corrosion in 1 M HCl using electrochemical techniques and quantum chemical calculation. The results revealed that Ipyr-C₃H₇ and Ipyr-C₅H₁₁ acted as mixed-type inhibitors with anodic predominance and achievd an inhibition efficiency of around 88%. The adsorption of the ILs on the metal surface followed the Langmuir kinetic-thermodynamic isotherm. The theoretical approach was performed using DFT calculations at B3LYP, 6–311++G(d,p) to correlate the experimental results. Most descriptors showed a good correlation with the inhibition performance achieved experimentally. Molecular dynamics simulations show that the selected molecules adsorb parallel to the substrate surface.

两种离子液体（ILs），（E）-4-（2-（4-氟亚苄基）肼羰基）-1-丙基吡啶-1-碘化鎓（Ipyr-C ₃ H ₇）和（E）-4-（2-使用电化学技术和量子化学计算方法评估了（4-氟亚苄基肼羰基）-1-戊基吡啶-1-碘化物（Ipyr-C ₅ H ₁₁）作为缓蚀剂在1 M HCl中的新型缓蚀剂。结果显示，Ipyr-C ₃ H ₇和Ipyr-C ₅ H ₁₁充当具有阳极优势的混合型抑制剂，并达到约88％的抑制效率。ILs在金属表面的吸附遵循Langmuir动力学-热力学等温线。理论方法是使用B3LYP在6–311 ++ G（d，p）处的DFT计算执行的，以关联实验结果。大多数描述符显示出与实验获得的抑制性能良好的相关性。分子动力学模拟表明所选分子平行于基材表面吸附。