Enhancement Corrosion Resistance of Two (vinyl)Silsesquioxane Hybrid Films and their Validation by Gas-molecule Diffusion Coefficients using Molecular Dynamics Simulation
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<f-VS<AA which implies that the TEOS addition in the f-VTS coating indeed enhances the electrochemical corrosion resistance. Correlations between the structures of two films and anticorrosion properties were discussed. Four different 3D-amorphous cubic unit cells, two cell(f-VS)s and two cell(f-VTS)s, as models were employed to investigate self-diffusion coefficients by molecular dynamics (MD) simulation for the NO2, SO2 and H2O molecules. All three self-diffusion coefficients of NO2, SO2 and H2O in cell(f-VTS) were less than the corresponding values in cell(f-VS), which validates the anticorrosion experiment results. The reasons why the addition of TEOS in the system of f-VTS leads to a lower gas self-diffusion coefficient compared to the f-VS system, were discussed.
Silsesquioxanes (SSO) Coatings anticorrosion Molecule dynamics simulation
Di WANG Xiaodong CHEN Yu LIU Lijiang HU
Materials Science and Engineering College, Northeast Forest University, Harbin 150040, China School of Economic and management, Harbin Institute of Technology, Harbin 150001, China Chemistry Department, Harbin Institute of Technology, Harbin 150001, China
国际会议
重庆
英文
97-103
2008-06-09（万方平台首次上网日期，不代表论文的发表时间）