Polymers 2014, 6(2), 300-310; doi:10.3390/polym6020300
Article

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

1 School of Science, School of Chemical Engineering; Harbin Institute of Technology, Harbin 150001, China 2 Material Science and Engineering College, Northeast Forestry University, Harbin 150040, China 3 Department of Materials Science and Engineering, The University of Arizona, Tucson, AZ 85721, USA
* Author to whom correspondence should be addressed.
Received: 28 November 2013; in revised form: 17 January 2014 / Accepted: 20 January 2014 / Published: 27 January 2014
(This article belongs to the Special Issue Polymer Colloids)
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Abstract: 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-TTBi% (f-GSTT5%–25%, i = 5, 10, 15, 20 and 25 wt%), were prepared and tested by electrochemical measurements with typical potentiodynamic polarization curves. The Icorr values of the samples were significantly lower, comparing with the Icorr values of the f-GS, AA and f-GS modified tetraethoxysilane (TEOS) in the previous study, which implies that the TTB5%–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-GSTT5%–25% cells were less than the SDCs in f-GS. These results validated the corresponding anticorrosion experiment results.
Keywords: silsesquioxane film; titanium; anticorrosion; molecule dynamics simulation

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MDPI and ACS Style

Wang, H.; Liu, L.; Huang, Y.; Wang, D.; Hu, L.; Loy, D.A. Enhancement Corrosion Resistance of (γ-Glycidyloxypropyl)-Silsesquioxane-Titanium Dioxide Films and Its Validation by Gas Molecule Diffusion Coefficients Using Molecular Dynamics (MD) Simulation. Polymers 2014, 6, 300-310.

AMA Style

Wang H, Liu L, Huang Y, Wang D, Hu L, Loy DA. Enhancement Corrosion Resistance of (γ-Glycidyloxypropyl)-Silsesquioxane-Titanium Dioxide Films and Its Validation by Gas Molecule Diffusion Coefficients Using Molecular Dynamics (MD) Simulation. Polymers. 2014; 6(2):300-310.

Chicago/Turabian Style

Wang, Haiyan; Liu, Li; Huang, Yudong; Wang, Di; Hu, Lijiang; Loy, Douglas A. 2014. "Enhancement Corrosion Resistance of (γ-Glycidyloxypropyl)-Silsesquioxane-Titanium Dioxide Films and Its Validation by Gas Molecule Diffusion Coefficients Using Molecular Dynamics (MD) Simulation." Polymers 6, no. 2: 300-310.

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