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Corrosion Resistance Property of Ti/Si Hybrid Films and Small Gas Diffusion Properties in Organic/Inorganic Hybrid Films

Author: SongChangMei
Tutor: HuLiJiang
School: Harbin Institute of Technology
Course: Inorganic Chemistry
Keywords: Hybrid materials Silsesquioxane Sol - gel Corrosion resistance Diffusion coefficient
CLC: TG171
Type: Master's thesis
Year: 2008
Downloads: 52
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Abstract


In this paper, the structure of the hybrid material is expressed as XR7 (SiO1.5) 8 hybrid structural units - polyhedral oligomeric silsesquioxane (Polyhedral Oligomeric Silsesquioxane, POSS) consisting of thin film materials . Nanocomposite with traditional materials, such hybrid materials having a simple synthesis process , particles without agglomeration of the particles combined with the body resistance and other characteristics , can be prepared having different macroscopic properties of functional materials ( such as anti-corrosion material in this paper is concerned ) , and its potential applications in various fields is self-evident. Thus, the organic - inorganic hybrid nanostructures hailed as a new generation led by foreign material . In recent years, the rapid development of computer technology , molecular simulation technology in the field of Chemistry and Chemical widely applied . Molecular modeling is the early 1980s, the rise of a computer-aided experimental techniques , through a computer to simulate the molecular structure and behavior. In this thesis, TEOS , tetrabutyl titanate as modifier , vinyl trimethoxysilane (VMS, 520), epoxy propyl ether trimethyl silane (GPMS, 560) and γ- ( methacryloxypropyl ) trimethoxysilane (MPMS, 570) three kinds of different substituents containing silane coupling agent is a silicon precursor sol - gel method, by adjusting the reaction temperature, the water consumption , a catalyst concentration and amount of solvent to do orthogonal to discuss the impact of various factors on the product and ultimately determine the optimal synthesis conditions . In optimal conditions, a different formulation than the synthesis of the corresponding intermediate silicon titanium , preparation of the corresponding film material. LY12 aluminum alloy surface coating by using electrochemical measurements and scanning electron microscopy and other methods to study the hybrid membranes corrosion resistance. This thesis by molecular dynamics (MD) simulations to study the NO2, SO2 and H2O molecules in the cell (VMS-SSO hybrid membrane ), cell (VMS-TEOS-SSO hybrid membrane ) and cell (MPMS-SSO hybrid membranes ), cell (MPMS-TEOS-SSO hybrid membranes ) four kinds of hybrid model system of self-diffusion coefficients . NO2, SO2 and H2O molecules in the VMS-TEOS-SSO hybrid membrane (MPMS-SSO hybrid membrane ) in the self-diffusion coefficients are less than its VMS-SSO hybrid membrane (MPMS-SSO hybrid membrane ) in the self-diffusion factor . MD simulation results verify the corresponding correctness corrosion experiments can be used to guide organic - inorganic hybrid film screening of the film material corrosion .

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CLC: > Industrial Technology > Metallurgy and Metal Craft > Metallurgy and Heat Treatment > Metal corrosion protection,metal surface treatment > Theory of metal corrosion
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