{"title":"Folic acid as a green inhibitor for corrosion protection of Q235 carbon steel in 3.5 wt% NaCl solution","authors":"Peng Han, Zebang Liu, Zhichao Ren, Yue Li, Zhenwei Sun, Chenyang Xu","doi":"10.1002/kin.21758","DOIUrl":null,"url":null,"abstract":"<p>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.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 1","pages":"40-58"},"PeriodicalIF":1.5000,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Chemical Kinetics","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/kin.21758","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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.