Permeation behavior of salt solution through g-C3N5/epoxy coatings : insights from molecular dynamics simulation
Yao, Yongde and Tang, Fujian and Yang, Shangtong (2024) Permeation behavior of salt solution through g-C3N5/epoxy coatings : insights from molecular dynamics simulation. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 690. 133725. ISSN 0927-7757 (https://doi.org/10.1016/j.colsurfa.2024.133725)
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Abstract
Organic coatings with a physical barrier network can effectively inhibit the corrosion of carbon steel. In this study, epoxy coating modified with one pristine nitrogen-rich carbon nitride (g-C3N5-PRI) nanosheet and two functional group-modified g-C3N5 (i.e.,g-C3N5-NH2 and g-C3N5-COOH) nanosheets were developed, and their permeation behaviors in sodium chloride (NaCl) solution were investigated by molecular dynamic simulation. In addition, the dynamic behavior and distribution of NaCl solution particles between the three nanosheets and the epoxy resin chain were also studied. The results show that the number and type of hydrogen bonds formed between the nanosheets and water molecules are the decisive factors affecting the penetration of NaCl solution in the coating. The two functional groups of nanosheets play an important role in impeding penetration of NaCl solution, and g-C3N5-COOH nanosheet performs better than g-C3N5-NH2 nanosheet. The solution particles captured in the modified coatings are blocked on the surface of the nanosheets, which is the main reason for the decrease of the adhesion between the nanosheets and the epoxy coating matrix.
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Item type: Article ID code: 90064 Dates: DateEvent5 June 2024Published23 March 2024Published Online14 March 2024Accepted31 December 2023SubmittedSubjects: Technology > Engineering (General). Civil engineering (General) Department: Faculty of Engineering > Civil and Environmental Engineering Depositing user: Pure Administrator Date deposited: 26 Jul 2024 14:42 Last modified: 26 Jul 2024 14:42 URI: https://strathprints.strath.ac.uk/id/eprint/90064