Enhancement Corrosion Resistance of (γ-Glycidyloxypropyl)-Silsesquioxane-Titanium Dioxide Films and Its Validation by Gas Molecule Diffusion Coefficients Using Molecular Dynamics (MD) Simulation

Polymers

Haiyan Wang¹  Li Liu¹  Yudong Huang¹  Di Wang²  Lijiang Hu¹ 

[1] School of Science; School of Chemical Engineering; Harbin Institute of Technology, Harbin 150001, China; E-Mails:;Material Science and Engineering College, Northeast Forestry University, Harbin 150040, China; E-Mail:

关键词: silsesquioxane film;    titanium;    anticorrosion;    molecule dynamics simulation;   

DOI  :  10.3390/polym6020300

来源: mdpi

【 摘 要 】

Based on silsesquioxanes (SSO) derived from the hydrolytic condensation of (γ-glycidyloxypropyl)trimethoxysilane (GPMS) and titanium tetrabutoxide (TTB), hybrid films on aluminum alloy (AA), film-GPMS-SSO (f-GS) and f-GS-TTB_i% (f-GSTT_5%–25%, i = 5, 10, 15, 20 and 25 wt%), were prepared and tested by electrochemical measurements with typical potentiodynamic polarization curves. The I_corr values of the samples were significantly lower, comparing with the I_corr values of the f-GS, AA and f-GS modified tetraethoxysilane (TEOS) in the previous study, which implies that the TTB_5%–25% (TiO₂) additions in the coatings indeed enhance the electrochemical corrosion resistance. Correlations between the film structures and anticorrosion properties were discussed. To validate the corresponding anticorrosion experiment results, different 3D-amorphous cubic unit cells were employed as models to investigate the self-diffusion coefficient (SDC) for SO₂, NO₂ and H₂O molecules by molecular dynamics (MD) simulation. All of the SDCs calculated for SO₂, NO₂ and H₂O diffusing in f-GSTT_5%–25% cells were less than the SDCs in f-GS. These results validated the corresponding anticorrosion experiment results.

【 授权许可】

CC BY   
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