Development of Surface Reaction Mechanism for C-SiC-SiO2-Rubber Composite Oxidation in Extreme Oxidizing Condition Navy STTR FY2010.A Sol No.: Navy STTR FY2010.A Topic No.: N10A-T005 Topic Title: Development of Surface Reaction Mechanism for C-SiC-SiO2-Rubber Composite Oxidation in Extreme Oxidizing Condition Proposal No.: N10A-005-0148 Firm: CFD Research Corporation 215 Wynn Dr., 5th Floor Huntsville, Alabama 35805 Contact: Debassis Sengupta Phone: (256) 726-4800 Web Site: www.cfdrc.com Abstract: 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. Benefits: The outcome of this STTR will have multiple applications. Silicon compounds are widely used in making computer chips and in refractory materials. The models developed in this STTR can be used to analyze and improve the properties of these materials. The knowledge acquired in developing the mechanism can be used for other applications, such as combustion, catalysis, steam reformation. Last, but not the least, DoD and NASA will immensely benefit from this work as these agencies are continuously looking to improve the properties of their existing coating materials. Return