Alsaiari Raiedhah A, Kamel Medhat M, Mohamed Mervate M
Empty Quarter Research Centre, Department of Chemistry, Faculty of Science and Arts in Sharurah, Najran University, Sharurah 78362, Saudi Arabia.
Department of Chemistry, Faculty of Science, Suez Canal University, Ismailia 41522, Egypt.
Molecules. 2024 Mar 5;29(5):1157. doi: 10.3390/molecules29051157.
In this work, we studied the corrosion of Cu metal in 0.5 mol L HCl and the inhibition effect of the expired Cefazolin drug. The inhibition efficiency (IE) of Cefazolin varied according to its concentration in solution. As the Cefazolin concentration increased to 300 ppm, the IE increased to 87% at 298 K and decreased to 78% as the temperature increased to 318 K. The expired drug functioned as a mixed-type inhibitor. The adsorption of the drug on the copper surface followed Temkin's adsorption model. The magnitudes of the standard free energy change (Δ) and adsorption equilibrium constant () indicated the spontaneous nature and exothermicity of the adsorption process. Energy dispersive X-ray (EDX) and scanning electron microscopy (SEM) techniques showed that the drug molecules were strongly attached to the Cu surface. The electrochemical frequency modulation (EFM), potentiodynamic polarization (PP), and electrochemical impedance spectroscopy (EIS) results were in good agreement with the results of the weight loss (WL) method. The density functional tight-binding (DFTB) and Monte Carlo (MC) simulation results indicated that the expired drug bound to the copper surface through the lone pair of electrons of the heteroatoms as well as the π-electrons of the tetrazole ring. The adsorption energy between the drug and copper metal was -459.38 kJ mol.
在这项工作中，我们研究了铜金属在0.5 mol/L盐酸中的腐蚀以及过期头孢唑林药物的抑制作用。头孢唑林的抑制效率（IE）随其在溶液中的浓度而变化。在298 K时，随着头孢唑林浓度增加到300 ppm，IE增加到87%，而当温度升高到318 K时，IE下降到78%。过期药物起到混合型抑制剂的作用。药物在铜表面的吸附遵循Temkin吸附模型。标准自由能变化（Δ）和吸附平衡常数（）的大小表明了吸附过程的自发性和放热性。能量色散X射线（EDX）和扫描电子显微镜（SEM）技术表明药物分子强烈附着在铜表面。电化学频率调制（EFM）、动电位极化（PP）和电化学阻抗谱（EIS）结果与失重（WL）法的结果高度一致。密度泛函紧束缚（DFTB）和蒙特卡罗（MC）模拟结果表明，过期药物通过杂原子的孤对电子以及四唑环的π电子与铜表面结合。药物与铜金属之间的吸附能为-459.38 kJ/mol。
