咪唑啉缓蚀剂疏水基链对缓蚀性能的影响

Effect of hydrophobic chain of imidazoline corrosion inhibitor on corrosion inhibition performance

为了解释咪唑啉疏水基链在钢铁防腐蚀中的作用,选用两种疏水基链长度差异较大的咪唑啉缓蚀剂作为研究对象,通过计算机分子动力学模拟和量子化学计算方法探究了疏水基链长度对缓蚀剂缓蚀性能的影响原因。计算机分子动力学模拟结果显示,吸附过程中碳链阻碍了水分子接近铁表面;量子化学计算结果表明,疏水基链长度的增加使得分子的质量和供电子能力增加,进而增加了分子与铁之间的相互作用,有效地抑制了铁因腐蚀失去电子的倾向。研究结果显示咪唑啉缓蚀剂疏水基链对铁的防腐蚀具有重要作用。

To interpret the role of hydrophobic chain of imidazoline in the corrosion protection of steel,two kinds of imidazoline corrosion inhibitors with highly different hydrophobic chain length were selected as the research objects.The influence of hydrophobic chain length on the corrosion inhibition performance of imidazoline corrosion inhibitors was investigated using computer molecular dynamics simulation and quantum chemical calculation methods.Molecular dynamics simulation results show that the carbon chain prevents water molecules from approaching the iron surface during the adsorption process.The quantum chemical calculation results show that the rise of the hydrophobic chain length increases the mass and electron supplying capacity of the molecule,and boosts the interaction between the molecule and iron,which effectively inhibits the tendency of iron to lose electrons due to corrosion.The research results indicates that imidazoline corrosion inhibitor hydrophobic chain plays an important role in the corrosion protection of iron.