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首页> 外文期刊>Journal of Molecular Structure >Guar gum as efficient non-toxic inhibitor of carbon steel corrosion in phosphoric acid medium: Electrochemical, surface, DFT and MD simulations studies
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Guar gum as efficient non-toxic inhibitor of carbon steel corrosion in phosphoric acid medium: Electrochemical, surface, DFT and MD simulations studies

机译:瓜尔胶作为磷酸介质中碳钢腐蚀的高效无毒抑制剂:电化学,表面,DFT和MD模拟研究

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摘要

Guar gum is a water-soluble, nonionic, nontoxic, biodegradable and biocompatible hetero polysaccharide with unlimited number of industrial applications. In this study, guar gum was evaluated as a natural inhibitor of carbon steel (CS) corrosion in 2 M H3PO4 solution. The characteristic effect of guar gum on the steel corrosion was studied at concentration ranges from 0.1 to 1.0 g/L at 298-328 K by weight loss and electrochemical methods. Obtained results showed that, the inhibition efficiency (eta%) of guar gum decreased slightly when the temperature increased and increased by increasing the inhibitor concentration reaching the maximum value at 1.0 g/L. The adsorption of guar gum on steel surface was studied by the Temkin adsorption model. EIS measurements indicate that the values of the polarization resistance (R-p) of CS in presence of guar gum are significantly higher than that of the untreated surface. Steel surface coated with guar gum was analyzed by SEM, FTIR and XRD. The quantum calculations using DFT method and Molecular Dynamic (MD) simulations were performed to define the relationship between inhibition performance of investigated compound and their molecular structure. (C) 2017 Elsevier B.V. All rights reserved.
机译:瓜尔胶是一种水溶性,非离子,无毒,可生物降解和生物相容性的杂种杂种,具有无限数量的工业应用。在该研究中,瓜尔胶被评价为2M H3PO4溶液中的碳钢(CS)腐蚀的天然抑制剂。通过减肥和电化学方法,在浓度范围为0.1至1.0g / L的浓度范围内研究瓜尔胶对钢腐蚀的特征效应。得到的结果表明,通过增加抑制剂浓度达到1.0g / l的最大值,温度升高并增加,瓜尔胶的抑制效率(ETA%)略微降低。 Temkin吸附模型研究了瓜尔胶对钢结构的吸附。 EIS测量表明,瓜尔胶存在下Cs的偏振电阻(R-P)的值显着高于未处理表面的值。通过SEM,FTIR和XRD分析涂有瓜尔胶胶的钢表面。进行使用DFT方法和分子动态(MD)模拟的量子计算以确定研究化合物及其分子结构的抑制性能之间的关系。 (c)2017年Elsevier B.V.保留所有权利。

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