Development of a Boron Nitride Precursor Chemical Kinetic Model Using Reaction Mechanism Generator (RMG) Framework

Ceramic fibers coated with thin films of boron nitride (BN) is one approach to extend the survivability of high-temperature ceramic-matrix composite (CMC) materials in aerospace applications. Similarly, boron carbide (BC) is extensively used in various high-temperature industrial applications. Detailed chemical kinetic models that describe both BN and BC deposition pathways are needed to better understand the finite-rate effects that influence the quality and quantification of deposition process. Currently, only very limited models are available that describe the deposition of either BC or BN coatings. In this work, the Reaction Mechanism Generator (RMG) program which currently excludes boron chemistry is expanded to include a comprehensive set of species and reactions associated with boron. Newly generated kinetic models are then used in CANTERA reactor framework to predict the reagent decomposition and subsequent formation of key intermediate species controlling the BX deposition process. In future work, model parameters can be optimized as new experimental data become available.