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Abstract：
The deterioration of mild steel in an acidic environment poses a significant challenge in various industries. The emergence of effective corrosion inhibitors has drawn attention to studies aimed at reducing the harmful consequences of corrosion. In this study, the corrosion inhibition efficiency of Prinivil in a 1M HCl solution through various electrochemical and gravimetric techniques has been investigated for the first time. The results demonstrated that the inhibition efficiency of Prinivil expanded from 61.37% at 50 ppm to 97.35% at 500 ppm concentration at 298 K. With a regression coefficient (R 2) of 0.987, Kads value of 0.935 and Ea value of 43.024 kJ/mol at 500 ppm concentration of inhibitor, a strong affinity of Prinivil for adsorption onto the metal surface has been significantly found. Scanning electron microscopy (SEM) and contact angle measurement analyses further support the inhibitory behavior of Prinivil, demonstrating the production of a defensive layer on the surface of mild steel. Additionally, molecular dynamics (MD) and Monte Carlo simulations were employed to investigate the stability and interactions between Prinivil and the metallic surface (Fe (1 1 0)) at the atomic level. The computed results reveal strong adsorption of Prinivil upon the steel surface, confirming its viability as a corrosion inhibitor.
摘要：
低碳钢在酸性环境中的劣化在各种行业中提出了重大挑战。有效腐蚀抑制剂的出现引起了人们对旨在减少腐蚀有害后果的研究的关注。在这项研究中,首次通过各种电化学和重量分析技术研究了Prinivil在1MHCl溶液中的腐蚀抑制效率。结果表明，Prinivil的抑制效率从50ppm时的61.37％扩展到298K时500ppm浓度时的97.35％。在500ppm的抑制剂浓度下，回归系数（R2）为0.987，Kads值为0.935，Ea值为43.024kJ/mol，已发现Prinivil对金属表面的吸附具有很强的亲和力。扫描电子显微镜（SEM）和接触角测量分析进一步支持Prinivil的抑制行为，证明了在低碳钢表面产生了防御层。此外,采用分子动力学（MD）和蒙特卡罗模拟研究了原子水平上Prinivil与金属表面（Fe（110））之间的稳定性和相互作用。计算结果表明，Prinivil在钢表面具有很强的吸附作用，确认其作为腐蚀抑制剂的可行性。
