Syam S M, Nady H, Eid Salah, El-Katori Emad E
Chemistry department, Faculty of science, Benha University, Benha, Egypt.
Department of Chemistry, College of Science, Jouf University, 72341, Sakaka, Aljouf, Saudi Arabia.
Sci Rep. 2025 Feb 12;15(1):5216. doi: 10.1038/s41598-024-84041-8.
Herein, a corrosion inhibitor called the Gast Reg drug (GRD) was used to prevent the copper from corroding. The aggressive solution used in this investigation was HCl acid solution. A mix of electrochemical and quantum investigations are used to assess GRD's anti-corrosion properties. It has been discovered that the GRD is essential for stopping copper from corroding in a 2 M HCl solution. The study's results indicated that GRD shown considerable corrosion prevention capabilities for copper in 2 M HCl solution. The inhibitory effectiveness of GRD was seen to rise with higher concentrations of GRD. It is noteworthy that the maximum levels of inhibitory effectiveness (82.1%) for HCl solution were obtained at 123.87 × 10 M. The primary cause of GRD's anti-corrosion properties is its propensity to adsorb on the surface of copper via its heteroatoms. The inhibitor's adsorption behavior was described using the Langmuir model. Surface assessments with Energy Dispersive X-ray (EDX), Scanning Electron Microscope (SEM), and Atomic Force Microscope (AFM) demonstrated the development of a prominent adsorbed film on the copper surface. The correlation between molecule structure and its inhibitory effect has been investigated and analyzed using DFT and Monte Carlo simulation. The actual adsorption occurs through a variety of active centers and physical and chemical processes that are coordinated with the calculated quantum parameters. The outcomes gathered from electrochemical, surface, and theoretical studies are well correlated.
在此，一种名为胃调节药物（GRD）的缓蚀剂被用于防止铜的腐蚀。本研究中使用的侵蚀性溶液是盐酸溶液。采用电化学和量子研究相结合的方法来评估GRD的防腐性能。研究发现，GRD对于阻止铜在2M盐酸溶液中的腐蚀至关重要。研究结果表明，GRD在2M盐酸溶液中对铜表现出相当可观的防腐蚀能力。GRD的抑制效果随着其浓度的升高而增强。值得注意的是，在123.87×10M时，盐酸溶液的抑制效果达到最大值（82.1%）。GRD具有防腐性能的主要原因是其倾向于通过杂原子吸附在铜表面。使用朗缪尔模型描述了抑制剂的吸附行为。通过能量色散X射线（EDX）、扫描电子显微镜（SEM）和原子力显微镜（AFM）进行的表面评估表明，铜表面形成了一层明显的吸附膜。使用密度泛函理论（DFT）和蒙特卡罗模拟研究并分析了分子结构与其抑制效果之间的相关性。实际吸附通过各种活性中心以及与计算出的量子参数相协调的物理和化学过程发生。从电化学、表面和理论研究中收集的结果具有良好的相关性。
