Yiyao Li, Ruirui Miao, Yi Li, Xiaolin Peng, Lin Niu
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引用次数: 0
摘要
采用失重分析、电化学测量、扫描电子显微镜等方法,将两种过期的四环素类抗生素(土霉素和四环素)用作 1M HCl 溶液中低碳钢的环保型缓蚀剂。利用热力学建模、量子化学计算、分子动力学模拟等方法讨论了其效果和机理。缓蚀率(η)随浓度和温度的升高而增加,导致吸热减少和阶次增加。在 2 × 10-4 mol L-1 浓度为 323.15 K 时,土霉素和四环素的ηpmax${eta }_{\mathrm{pmax}}$分别为 96.14% 和 97.92%。影响动力学模型参数中 η 的关键因素在浓度较低时有所不同。这两种物质都属于阴极缓蚀剂,都经历了涉及物理吸附和化学吸附的朗缪尔自发吸附过程。最高占有分子轨道和最低未占有分子轨道之间的能级差异、全局硬度、电负性、分子极化性、偶极矩和转移电子数是增强缓蚀剂吸附氯离子能力的关键因素。
Corrosion inhibition of two tetracycline-based expired antibiotics as eco-friendly inhibitors for mild steel in 1M HCl solution
Two expired Tetracycline-based antibiotics (Oxytetracycline and Tetracycline) were utilized as eco-friendly corrosion inhibitors for mild steel in 1M HCl solution, employing weight loss analysis, electrochemical measurements, scanning electron microscopy, and so on. The effect and mechanism were discussed using thermodynamic modeling, quantum chemical calculation, molecular dynamics simulation, and so on. The corrosion inhibition rate (η) increases with higher concentration and temperature, leading to reduced heat absorption and increased order degree. The of Oxytetracycline and Tetracycline was 96.14% and 97.92% at 323.15 K of 2 × 10−4 mol L−1, respectively. The key factors affecting η in the kinetic model parameters vary at lower concentrations. Both of them belong to cathodic corrosion inhibitors and undergo Langmuir spontaneous adsorption processes involving both physisorption and chemisorption. The disparity in energy levels between the highest occupied molecular orbital and lowest unoccupied molecular orbital, global hardness, electronegativity, molecular polarizability, dipole moment, and transfer electron number are key factors that enhance a corrosion inhibitor's ability to adsorb chloride ions.
期刊介绍:
Materials and Corrosion is the leading European journal in its field, providing rapid and comprehensive coverage of the subject and specifically highlighting the increasing importance of corrosion research and prevention.
Several sections exclusive to Materials and Corrosion bring you closer to the current events in the field of corrosion research and add to the impact this journal can make on your work.