双氯芬酸钠
腐蚀
扫描电子显微镜
轨道能级差
电化学
化学
密度泛函理论
水溶液
质子化
核化学
无机化学
材料科学
物理化学
计算化学
分子
有机化学
色谱法
复合材料
电极
离子
作者
Haider Abdulkareem Almashhadani,Mohannd Kadhim Alshujery,M. Khalil,Mustafa M. Kadhem,Anees A. Khadom
标识
DOI:10.1016/j.molliq.2021.117656
摘要
The behavior corrosion inhibition of aluminum alloy (Al6061) in acidic (0.1 M HCl) and saline (3.5% NaCl) solutions was investigated in the absence and the presence of expired diclofenac sodium drug (DSD) as a corrosion inhibitor. The influence of temperature and was studied using electrochemical techniques. In addition, scanning electron microscopy (SEM) was used to study the surface morphology. The results showed that DSD acted as a powerful inhibitor in acidic solutions, while a moderate influence was observed with saline one. Maximum inhibition efficiency was 99.99 and 83.32% in acidic and saline solutions at 150 ppm of DSD, respectively. Corrosion current density that obtained using electrochemical technique was increased with temperature and decreased with the addition of DSD in both, acidic and saline solutions. DSD acted as a mixed-type corrosion inhibitor in acidic solution, while it affected the cathodic reaction in saline solution. Scanning electron microscopy (SEM) showed a significant surface damages in the absence of DSD. Quantum chemical theoretical studies were also addressed. Three states of DSD were considered in understanding the mechanism of inhibition. Normal, dissociated, and protonated states were optimized using Density Function Theory (DFT). Highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), energy gap (ΔE), dipole moment (µ), and other parameters were used to compare the performance of DSD states. Theoretical studies showed that the protonated state gave higher protection efficiency.
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