Yue Sun,Xiang Li,Bin Du,Jialong Cui,Ali Abdullah,Yanji Zhu,Huaiyuan Wang,Di Bao
Global warming is attributed to excessive emissions of greenhouse gases, which are being addressed through the deployment of carbon capture technologies aimed at mitigating climate change. However, this approach faces significant challenges, as high concentrations of CO 2 pose a huge risk of corrosion, compromising integrity. The active inhibitor polyfluoroaniline grown on the surface of graphene (Gr-PFAN) is encapsulated in epoxy novolac (EN) coating. And highly reactive nitrogen-containing poly(p-phenylenediamine-fluoroaniline) (Gr-PPFAN) was synthesized by changing the polymerization monomer. For the first time, primary amine nitrogen-containing active sites are discussed in CO 2 shielding material. The gas transmission rate (GTR) test showed that the GTR of the composite film containing Gr-PPFAN was 3.7 times higher than that of Gr-PFAN. And the presence of highly reactive amines in the polymer mass transfer behavior was calculated by molecular simulation. Therefore, the PPFAN coating is a serious failure in H 2 O-CO 2 environment. The introduction of the low content of active sites in Gr-PFAN into the epoxy resin matrix resulted in significant enhancement of the H 2 O, H 2 O-CO 2 and H + corrosion resistance. The small amount of active amine not only enhances the phase interface between the resin and the flake filler, but also facilitates the formation of a protective layer on the metal surface. Experimental results demonstrated that Gr-PFAN/EN exhibited the highest |Z| 0.01 Hz value (3.5 × 1011 O × cm 2 ) after 90 days of immersion in 3.5 wt% NaCl solution and 1.5 × 1011 O × cm 2 for 30 days in the carbon capture environment. Furthermore, it makes Gr-PFAN/EN a promising candidate for practical applications in CO 2 capture projects. The findings provide a scientific basis for the development of efficient anti-corrosion coatings suitable for carbon capture technologies.
Yue Sun,Cheng Li,Dengyu Fu,Haodong Hu,Ziheng Bai,Haolei Geng,Yueyang Gao,Yanji Zhu,Huaiyuan Wang
Reasonable design, preparation and application of highly effective fillers are the main challenges to significantly improve the protective performance of coatings. Herein, based on the EP coating, polyfluoroaniline@sodium dodecyl benzenesulfonate‑cerium dioxide-montmorillonite (FA@SD-CeO 2 -MMT) filler was elaborately designed. Due to the integral anti-corrosion system, the impedance value of FA@SD-CeO 2 -MMT/EP remained 1.02 × 10 11 Ω cm 2 after 90 d immersion of 3.5% NaCl. And the multi-interactions among MMT, FA@SD and CeO 2 form a trinity anti-corrosion system of passivation, hydrophobic shielding and cathodic protection , which significantly improve the anti-corrosion performance of EP coatings.
In harsh humid environments, conventional epoxy coatings suffer from inadequate corrosion resistance due to microporous defects formed during curing, while the trial-and-error optimization of fillers faces challenges such as unclear mechanisms and low design efficiency. This study proposes a novel "computation-driven material design" paradigm, elucidating the synergistic moisture-resistant mechanisms of fillers through cross-scale simulations. Molecular dynamics (MD) simulations show that adding 3 wt% graphene oxide (GO) reduces the free volume of epoxy by 15% and decreases the water diffusion coefficient by 10%. Density functional theory (DFT) calculations identify a high adsorption energy barrier (21.831 eV) generated by fluorine groups in polyfluoroaniline (PFAN) through electron cloud redistribution, effectively suppressing water penetration. Monte Carlo (MC) simulations further bridge microscopic energy barriers with macroscopic penetration flux. Guided by these insights, reduced graphene oxide-polyfluoroaniline (rGO-PFAN) composite fillers are synthesized via covalent grafting, experimentally demonstrating synergistic barrier-hydrophobic effects. Epoxy coatings containing 1.5 wt% rGO-PFAN retain an impedance modulus of 4.44×10 11 Ω·cm 2 after 90-day immersion, while 2 wt% filler reduces long-term water absorption by 73.63%. Salt spray tests confirm superior corrosion suppression at defect regions. Mechanical property tests show that the coating exhibits significantly reduced wear loss, enhanced adhesion strength, and perfect adhesion after thermal cycling. This work pioneers the multiscale correlation from electron-cloud interactions to macroscopic anticorrosion performance, establishing a theoretical framework for the rational design of intelligent coatings in extreme environments.
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