Abdallah Metwally, Soliman Kamal A, Alfakeer Majda, Hawsawi Hanaa, Al-Bonayan Ameena Mohsen, Al-Juaid Salih S, Abd El Wanees Salah, Motawea Mohamed S
Chem. Depart. Faculty of Appl. Sci., Umm Al-Qura University, Mecca 21421, Saudi Arabia.
Chem. Depart. Faculty of Sci., Benha University, Benha 13518, Egypt.
ACS Omega. 2023 Sep 15;8(38):34516-34533. doi: 10.1021/acsomega.3c03257. eCollection 2023 Sep 26.
The anticorrosion potency of two expired antifungal drugs, namely, bifonazole (BIF) and terconazole (TER), for X65 carbon steel (X65CS) in a 1.0 M HCl solution was estimated using practical and computational measurements. The results of all methods applied showed that the percentage of anticorrosive efficacy (% AE) increased for expired BIF and TER and reduced at elevated temperatures. The % AE values of expired BIF and TER (375 mg L) reached 92.08 and 94.19%, respectively, using polarization methods. The anticorrosion activities of the two expired drugs were interpreted based on their adsorption on the X65CS surface. The adsorption occurred according to the Langmuir isotherm model. The polarization results indicated that the expired drugs BIF and TER were mixed inhibitors. The impedance results showed a single capacitive loop, confirming that the charge transfer process controlled the corrosion of X65CS. Expired BIF and TER served as good pitting inhibitors by shifting the pitting potential to positive values. The thermodynamic functions of activation and adsorption were defined and explained. Density functional theory and Monte Carlo simulations were used to investigate the BIF and TER inhibitors. The theoretical parameters were consistent with the experimental results. The anticorrosion efficiencies determined using the various methods were in complete agreement.
采用实际测量和计算测量方法，评估了两种过期抗真菌药物，即联苯苄唑（BIF）和特康唑（TER）在1.0 M盐酸溶液中对X65碳钢（X65CS）的防腐效能。所应用的所有方法的结果表明，过期的BIF和TER的防腐效能百分比（%AE）增加，而在升高的温度下降低。使用极化方法时，过期的BIF和TER（375 mg/L）的%AE值分别达到92.08%和94.19%。基于两种过期药物在X65CS表面的吸附作用，对其防腐活性进行了解释。吸附作用符合朗缪尔等温线模型。极化结果表明，过期药物BIF和TER为混合型缓蚀剂。阻抗结果显示出单一的电容环，证实电荷转移过程控制了X65CS的腐蚀。过期的BIF和TER通过将点蚀电位移向正值，起到了良好的点蚀抑制剂作用。定义并解释了活化和吸附的热力学函数。利用密度泛函理论和蒙特卡罗模拟研究了BIF和TER缓蚀剂。理论参数与实验结果一致。使用各种方法测定的防腐效率完全一致。
