Department of Chemistry, Indian Institute of Technology, Banaras Hindu University, Varanasi 221005, India.
Institute of Physics, Faculty of Mathematics and Natural Science, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland.
Sci Rep. 2017 Mar 20;7:44432. doi: 10.1038/srep44432.
D-glucose derivatives of dihydropyrido-[2,3-d:6,5-d']-dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone (GPHs) have been synthesized and investigated as corrosion inhibitors for mild steel in 1M HCl solution using gravimetric, electrochemical, surface, quantum chemical calculations and Monte Carlo simulations methods. The order of inhibition efficiencies is GPH-3 > GPH-2 > GPH-1. The results further showed that the inhibitor molecules with electron releasing (-OH, -OCH) substituents exhibit higher efficiency than the parent molecule without any substituents. Polarization study suggests that the studied compounds are mixed-type but exhibited predominantly cathodic inhibitive effect. The adsorption of these compounds on mild steel surface obeyed the Langmuir adsorption isotherm. SEM, EDX and AFM analyses were used to confirm the inhibitive actions of the molecules on mild steel surface. Quantum chemical (QC) calculations and Monte Carlo (MC) simulations studies were undertaken to further corroborate the experimental results.
已经合成了二氢吡啶并[2,3-d:6,5-d']-二嘧啶-2,4,6,8(1H,3H,5H,7H)-四酮（GPHs）的 D-葡萄糖衍生物，并将其作为缓蚀剂在 1M HCl 溶液中对低碳钢进行了研究，使用了重量法、电化学、表面、量子化学计算和蒙特卡罗模拟方法。抑制效率的顺序为 GPH-3 > GPH-2 > GPH-1。结果进一步表明，具有供电子（-OH，-OCH）取代基的抑制剂分子比没有任何取代基的母体分子具有更高的效率。极化研究表明，所研究的化合物为混合型，但表现出主要的阴极抑制作用。这些化合物在低碳钢表面的吸附符合 Langmuir 吸附等温线。SEM、EDX 和 AFM 分析用于证实分子对低碳钢表面的抑制作用。进行了量子化学（QC）计算和蒙特卡罗（MC）模拟研究，以进一步证实实验结果。
