硫脲和锂离子在3.5% NaCl溶液中缓蚀铝合金的重量、吸附和理论研究

Emmanel Nleonu
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摘要

采用重量法、扫描电镜(SEM)和量子化学计算技术分别研究了硫脲和锂离子在3.5% NaCl溶液中对铝腐蚀的吸附和缓蚀性能。重量分析表明,在所研究条件下,硫脲浓度为1mm时对铝的缓蚀效果为82%。随着抑制剂浓度的增加,抑制效果较差,而随着锂离子的加入,抑制效果有所提高。此外,还研究了温度(303 ~ 333k)对缓蚀性能的影响。结果表明,抑制效果随温度升高而升高。硫脲分子在铝表面的吸附遵循Temkin吸附等温线,硫脲与锂离子混合抑制剂的吸附遵循Langmuir吸附等温线模型。扫描电镜结果证实,抑制机制是由于在铝表面形成保护薄膜,防止腐蚀。基于密度泛函理论(DFT)的量子化学计算表明,硫脲分子结构中的硫和氮的存在是由于金属表面可能与Al原子吸附而具有强抑制性能的原因。计算得到的实验参数与理论参数吻合较好。
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Inhibition of Aluminium Alloy Corrosion by Thiourea and Lithium Ion in 3.5 % NaCl Solution Using Gravimetric, Adsorption and Theoretical Studies.
The adsorption and inhibition performance of thiourea and lithium ion on aluminium corrosion in 3.5% NaCl were investigated using gravimetric measurement, scanning electron microscope (SEM) analysis and quantum chemical computational techniques respectively. Gravimetric analysis revealed that thiourea has a good inhibitory efficacy of 82% at 1 mM concentration of thiourea on the corrosion inhibition of aluminum under the conditions studied. Also, poor inhibitory effects were recorded with an increase in the concentration of inhibitor, and improvement in inhibition efficiency was observed with the addition of lithium ion. In addition, the effects of temperature (303–333K) on corrosion inhibition was investigated. The findings showed that the effectiveness of the inhibition rises with temperature. The adsorption of thiourea molecules onto an aluminium surface followed the Temkin adsorption isotherm, while the mixed inhibitor of thiourea and lithium ion followed the Langmuir adsorption isotherm model. SEM results confirmed that the inhibition mechanism is due to the formation of a protective thin film on the aluminium surfaces that prevents corrosion. Quantum chemical calculations based on the density functional theory (DFT) revealed that the presence of sulphur and nitrogen in the structure of thiourea molecules is responsible for the strong inhibitory performance due to possible adsorption with Al atoms on the metal surface. The computed experimental and theoretical parameters in this investigation are in good agreement.
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