Mitigation effect of natural lettuce oil on the corrosion of mild steel in sulfuric acid solution: chemical, electrochemical, computational aspects

IF 5.8 3区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Metwally Abdallah, Kamal A. Soliman, Majda Alfakeer, Ameena M. Al-bonayan, Mohamed T. Alotaibi, Hana Hawsawi, Omar A. Hazazi, Reda S. Abdel Hameed, Mohamed Sobhi
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Abstract

The inhibition vigor of natural lettuce oil against corrosion of mild steel (MSt) 1.0 M H2SO4 solutions was investigated using chemical, electrochemical, and computational studies. The anti-corrosion efficacy (%AE) increases with the increase in the amount of doses of lettuce oil and reaches 95.83% from the galvanostatic polarization. The anti-corrosion process was demonstrated by the adsorption of lettuce oil onto the surface of MSt. The adsorption is spontaneous due to the negative signs of free energy of adsorption. The adsorption is subjected to Langmuir isotherm. Lettuce oil inhibits the pitting corrosion of MSt in chloride -containing solutions by transferring the pitting potential to the noble directions. Density functional theory (DFT) and Monte Carlo (MC) simulations were performed on the four components of natural lettuce oil. The adsorption of the inhibitors on the Fe(110) in the solutions is in parallel form. The results obtained from DFT and MC simulations predicted that α-Lactucerol and Lactupicrin give the MC simulations were performed on the four components of natural lettuce oil. The adsorption of the inhibitors on the Fe(110) in the solutions is in parallel form. The results obtained from DFT and MC simulations predicted that α-Lactucerol and Lactupicrin give the highest %AE.
天然生菜油在硫酸溶液中对低碳钢腐蚀的减缓作用:化学、电化学、计算方面
采用化学、电化学和计算方法研究了天然生菜油对低碳钢(MSt) 1.0 M H2SO4溶液的缓蚀能力。抗腐蚀效能(%AE)随生菜油用量的增加而增加,在恒流极化下达到95.83%。通过莴苣油在MSt表面的吸附,验证了MSt的防腐性能。由于吸附自由能的负号,吸附是自发的。吸附服从Langmuir等温线。莴苣油通过将点蚀电位向贵金属方向转移来抑制含氯溶液中MSt的点蚀。采用密度泛函理论(DFT)和蒙特卡罗(MC)对天然生菜油的四种成分进行了模拟。抑制剂对溶液中Fe(110)的吸附呈平行形式。DFT和MC模拟结果表明,α-Lactucerol和Lactupicrin对天然生菜油的四种成分进行了MC模拟。抑制剂对溶液中Fe(110)的吸附呈平行形式。DFT和MC模拟结果预测α-Lactucerol和Lactupicrin的AE %最高。
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来源期刊
Green Chemistry Letters and Reviews
Green Chemistry Letters and Reviews CHEMISTRY, MULTIDISCIPLINARY-GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
CiteScore
9.10
自引率
3.00%
发文量
48
期刊介绍: Green Chemistry Letters and Reviews is an Open Access, peer-reviewed journal focused on rapid publication of innovative new syntheses and procedures that reduce or eliminate the use and generation of hazardous materials. Reviews of state-of-the-art green chemistry technologies are also included within the journal''s scope. Green Chemistry Letters and Reviews is divided into three overlapping topic areas: research, education, and industrial implementation. The journal publishes both letters, which concisely communicate the most time-sensitive results, and reviews, which aid researchers in understanding the state of science on important green chemistry topics. Submissions are encouraged which apply the 12 principles of green chemistry to: -Green Chemistry Education- Synthetic Reaction Pathways- Research and Process Analytical Techniques- Separation and Purification Technologies- Renewable Feedstocks- Degradable Products
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