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The synergistic inhibitive effect of nitro aniline compounds and iodide ions on mild steel in 1M HCI: Experimental and theoretical approach.

机译:1M HCl中硝基苯胺化合物和碘离子对低碳钢的协同抑制作用:实验和理论方法。

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The effect of iodide ions on the inhibitive performance of ortho, meta and para nitro aniline in 1M HCI for mild steel has been studied using weight loss method (gravimetric) measurements at 303 and 333K. Results obtained show that the presence of the nitro aniline compounds in 1M HCI solution inhibits the corrosion process of mild steel. The inhibition efficiency of the nitro aniline compounds was found to increase with increase in concentration of these compounds and decrease with increase in temperature. Its adsorption was found to be physical, exothermic and spontaneous as confirmed by values of activation energy and free energy of adsorption (not up to-20 kJ mol~(-1) for free energy of adsorption and below 80 kJ mol~(-1) for activation energy) and also fitted the Langmuir adsorption model. Addition of iodide ions synergistically increased the inhibition efficiency of the nitro aniline compounds. Quantitative Structure Activity Relationship (QSAR) approach was used on a composite index of some quantum chemical parameters to characterize the inhibition performance of the studied molecules. The results showed that the Inhibition Efficiency was closely related to some of the quantum chemical parameters.
机译:使用重量损失法(重量法)在303和333K下测量了碘离子对1M HCl对低碳钢中邻,间和对硝基苯胺的抑制性能的影响。获得的结果表明,在1M HCl溶液中硝基苯胺化合物的存在会抑制低碳钢的腐蚀过程。发现硝基苯胺化合物的抑制效率随这些化合物的浓度的增加而增加而随温度的增加而降低。活化能和吸附自由能的值证实了它的吸附是物理的,放热的和自发的(吸附自由能不超过20 kJ mol〜(-1),低于80 kJ mol〜(-1) )以获取活化能),并且还拟合了Langmuir吸附模型。碘离子的添加​​协同增加了硝基苯胺化合物的抑制效率。使用定量结构活性关系(QSAR)方法对一些量子化学参数的复合指数进行表征,以表征所研究分子的抑制性能。结果表明,抑制效率与某些量子化学参数密切相关。

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