Abstract

Benzyl isothiocyanate (BITC) was used as anticorrosive agent for the corrosion mitigation of stainless steel in 0.5 M hydrochloric acid medium. The corrosion inhibition study of (BITC) was investigated by potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques in the temperature range of 303–323 K. The study was done to get optimum inhibition efficiency. The surface morphology was studied using scanning electron microscopy (SEM). Elemental mapping was done by energy dispersive X-ray (EDX) studies. Suitable mechanism was proposed for corrosion and inhibition process. Quantum chemical calculations were done and discussed in detail using density functional theory (DFT). Maximum inhibition efficiency of 86% was achieved for the addition of 0.025 g L⁻¹ of the inhibitor at 308 K. BITC acted as mixed inhibitor and obeyed Langmuir adsorption. Surface morphology studies reaffirmed the adsorption of BITC onto the surface of steel. Quantum chemical calculations supported experimental observations.

中文翻译：

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异硫氰酸苄酯抑制作用的实验和理论评价

摘要

异硫氰酸苄酯 (BITC) 用作防腐剂在 0.5 M 盐酸介质中缓蚀不锈钢。(BITC) 的腐蚀抑制研究通过动电位极化 (PDP) 和电化学阻抗谱 (EIS) 技术在 303-323 K 的温度范围内进行研究。该研究是为了获得最佳的缓蚀效率。使用扫描电子显微镜（SEM）研究表面形态。元素映射是通过能量色散 X 射线 (EDX) 研究完成的。为腐蚀和抑制过程提出了合适的机制。使用密度泛函理论 (DFT) 完成并详细讨论了量子化学计算。添加 0.025 g L ^{-1 的}最大抑制效率达到 86%抑制剂在 308 K. BITC 作为混合抑制剂并服从朗缪尔吸附。表面形态研究再次证实了 BITC 吸附在钢表面上。量子化学计算支持实验观察。