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Synthesis, characterization, experimental and theoretical calculations (DFT and MC) of ethoxylated aminothiazole as inhibitor for X65 steel corrosion in highly aggressive acidic media

机译:乙氧基化氨基噻唑的合成,表征,实验和理论计算(DFT和MC)作为高侵蚀性酸性介质中X65钢腐蚀的抑制剂

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摘要

One step reaction mechanism was employed to synthesize ethoxylated aminomethylethiazole derivatives characterized by spectroscopic methods (FTIR, (HNMR)-H-1 and (CNMR)-C-13). Gravimetric and electrochemical techniques were employed to evaluate the mitigation efficiency of the as-prepared for X65 carbon steel corrosion in 15% (v/v) HCl. The surface coverage and the inhibition performance were functions in the surfactant type, concentration and temperature. Tafel data indicates that, the 1 x 10(-3) M (EO, 12) shows maximum inhibition 95.5% at 25 degrees C Inhibitory action of these compounds over X65 obey Langmuir model. SEM and EDX confirm the formation of adsorbed-protective layer over X65 surface. DFT calculations and MC simulations support the obtained experimental data: where, the adsorption ability of EO, 12 is the highest. (C) 2019 Elsevier B.V. All rights reserved.
机译:使用一种阶梯反应机制来合成乙氧基化氨基甲基亚唑衍生物,其特征在于光谱法(FTIR,(HNMR)-H-1和(CNMR)-C-13)。 采用重量和电化学技术评价15%(v / v)HCl中的X65碳钢腐蚀的X65碳钢腐蚀的缓解效率。 表面覆盖率和抑制性能在表面活性剂型,浓度和温度下是函数。 Tafel数据表明,1×10(-3)m(EO,12)显示出在X65 Obey Langmuir模型上的25摄氏度抑制作用的最大抑制95.5%。 SEM和EDX确认在X65表面上形成吸附保护层。 DFT计算和MC模拟支持所获得的实验数据:EO,12的吸附能力最高。 (c)2019 Elsevier B.v.保留所有权利。

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