Folic acid as a green inhibitor for corrosion protection of Q235 carbon steel in 3.5 wt% NaCl solution

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL International Journal of Chemical Kinetics Pub Date : 2024-07-31 DOI:10.1002/kin.21758
Peng Han, Zebang Liu, Zhichao Ren, Yue Li, Zhenwei Sun, Chenyang Xu
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Abstract

This study combines experimental and theoretical explorations. The corrosion inhibition performance of different concentrations (50, 100, 250, and 500 ppm) of folic acid in 3.5 wt% NaCl solution on Q235 steel was tested by weight loss and electrochemical test. The corrosion inhibition efficiency increased with the gradual increase of folic acid concentration and reached a maximum of 87% at 500 ppm folic acid. The experimental results for electrochemistry and weight loss are in good agreement with the simulation calculations. The adsorption of folic acid on the steel surface obeyed the Langmuir isotherm, and the adsorption process was a combination of chemisorption and physisorption. The contact angle test also yielded the maximum increase in hydrophobicity of the specimen surface at the added folic acid concentration of 500 ppm. The corrosion morphology after the addition of corrosion inhibitor was relatively flat. The adsorption orientation of folic acid molecules on the steel surface in an aqueous environment was investigated using density functional theory (DFT)/molecular dynamics (MD) simulations. The microscopic mechanism of action of folic acid corrosion inhibitors is clarified.
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叶酸作为绿色缓蚀剂在 3.5 wt% 氯化钠溶液中保护 Q235 碳钢
本研究结合了实验和理论探索。通过失重和电化学测试,检验了 3.5 wt% NaCl 溶液中不同浓度(50、100、250 和 500 ppm)叶酸对 Q235 钢的缓蚀性能。缓蚀效率随着叶酸浓度的逐渐增加而增加,当叶酸浓度为 500 ppm 时,缓蚀效率达到了 87%。电化学和失重的实验结果与模拟计算结果十分吻合。叶酸在钢表面的吸附符合 Langmuir 等温线,吸附过程是化学吸附和物理吸附的结合。接触角测试也表明,当叶酸的添加浓度为 500 ppm 时,试样表面的疏水性增加最大。添加缓蚀剂后的腐蚀形态相对平缓。利用密度泛函理论(DFT)/分子动力学(MD)模拟研究了水环境中叶酸分子在钢表面的吸附取向。阐明了叶酸缓蚀剂的微观作用机理。
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来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
审稿时长
3 months
期刊介绍: As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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Issue Information Force training neural network potential energy surface models Issue Information Folic acid as a green inhibitor for corrosion protection of Q235 carbon steel in 3.5 wt% NaCl solution Issue Information
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