The purpose of this STTR is to develop comprehensive detailed kinetics for oxidation of C-SiC-SiO2-rubber in extreme oxidizing environment. This material is used as a coating on the outer surface of Navy weapon systems. In order to predict the fate of this material under extreme conditions and mitigate the degradation of the coating, a comprehensive oxidation mechanism is required. In Phase I, CFDRC, in collaboration with Penn State, will develop a detailed surface reaction mechanism for C-SiC-SiO2-rubber oxidation. We will use novel molecular modeling methods, such as reactive molecular dynamics and quantum chemistry in conjunction with reaction rate theories and literature reports to develop the rate parameters of a series of elementary reactions. In Phase I, feasibility of this approach will be demonstrated via computing reactions related to SiC oxidation. When complete, this mechanism can be used with any thermal analysis code to predict the oxidative degradation of the composite material. In addition, this will also help in designing novel composites with improved properties.
Keywords: Sic, Sic, Molecular Dynamics, Mechanism, Oxidation, Sio2, Rate Constant, Composite
