Experimental and theoretical assessment to investigate the impact of Gast Reg drug on the copper corrosion control in an acidic environment.

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.