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Papers by Keyword: Molecule Dynamics Simulation

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Enhancement Corrosion Resistance of (3–Glycidoxylpropyl)- Silsesquioxane Hybrid Films and its Validation by Gas-Molecule Diffusion Coefficients Using MD Simulation

Authors: Gang Xie, Peng Wang, Li Jiang Hu

Abstract: Based on silsesquioxanes (SSO) derived from hydrolytic condensation of (–glycidoxylpropyl) trimethoxysilane (GPMS) and tetraethoxysilane (TEOS), two hybrid films, f-GPMS-TEOS-SSO (f-GTS) modified with 10 wt-% TEOS and f-GTS modified with 50 wt-% DGEBA (f-GTSD), were prepared. The anticorrosion properties (corrosion potential, Ecorr, and corrosion current density, Icorr) of the bare aluminum alloy (AA) and the two films on AA were tested by electrochemical measurements with typical potentiodynamic polarization curves. The Icorr values of three samples were significantly different with the order of f-GTSD

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Enhancement Corrosion Resistance of Two (Vinyl)Silsesquioxane Hybrid Films and their Validation by Gas-Molecule Diffusion Coefficients Using Molecular Dynamics Simulation

Authors: Di Wang, Xiao Dong Chen, Yu Liu, Li Jiang Hu

Abstract: Based on silsesquioxanes (SSO) derived from hydrolytic condensation of (vinyl)trimethoxysilane (VMS) and tetraethoxysilane (TEOS), two hybrid films, f-VMS-SSO (f-VS) and f-VMS-TEOS-SSO (f-VTS) modified with 15 wt-% TEOS, were prepared. The anticorrosion properties (corrosion potential, Ecorr, and corrosion current density, Icorr) of the bare aluminum alloy (AA) and the two films on AA were tested by electrochemical measurements with typical potentiodynamic polarization curves. The Icorr values of three samples are significantly different in the order of f-VTS