The corrosion inhibition behavior and adsorption mechanism of three novel synthetic surfactants in 1 M HCl solution on carbon steel were investigated. The PP results confirmed that all the synthetic surfactants behave as mixed-type inhibitors, while the EIS results validated the existence of a protective layer by the adsorption of inhibitor molecules on the carbon surface. T₃ was observed to offer the highest inhibition efficiency (η_w, 96.28%) at 1 mM by the static weight loss measurements due to two different hydrophobic chains which form a more compact film with the crosswise arrangement. SEM/EDS and XPS results revealed the formation of the surfactants film on the carbon steel surface. Molecular dynamics simulation (MD) was further executed to determine the adsorption mechanism in molecular level insights. In addition, a linear correlation between surface activity (γ) and corrosion inhibition efficiency (η_w) was verified. The adsorption of the prepared surfactants followed the Freundlich isotherm at different concentration ranges. Moreover, the bilayer/multilayer adsorption mechanism was also proposed and confirmed by experimental, adsorption isotherm studies and MD. Hence, both MD simulations and experimental results revealed the analogous inhibition with the order follows: T₃ > T₂ > T₁.

研究了三种新型合成表面活性剂在 1 M HCl 溶液中对碳钢的缓蚀行为和吸附机理。PP 结果证实所有合成表面活性剂都表现为混合型抑制剂，而 EIS 结果证实了通过抑制剂分子吸附在碳表面上的保护层的存在。观察到T ₃提供最高的抑制效率 ( η _w, 96.28%) 在 1 mM 时通过静态重量损失测量，由于两条不同的疏水链形成了具有交叉排列的更紧凑的膜。SEM/EDS 和 XPS 结果表明表面活性剂膜在碳钢表面形成。进一步执行分子动力学模拟 (MD) 以确定分子水平洞察中的吸附机制。此外，表面活性 ( γ ) 与缓蚀效率 ( η _w) 已验证。制备的表面活性剂在不同浓度范围内的吸附遵循 Freundlich 等温线。此外，还提出了双层/多层吸附机制，并通过实验、吸附等温线研究和 MD 进行了证实。因此，MD 模拟和实验结果都揭示了类似的抑制，其顺序如下：T ₃  > T ₂  > T ₁。