There has been recent interest in using the Reactive Interface Force Field (IFF-R) developed by Heinz et. al. to model high performance polymer systems and PMCs. IFF-R has proven its ability to accurately predict the thermo-mechanical properties of various polymer materials . IFF-R is especially accurate for simulating interfacial interactions between matrix and reinforcement materials with its ability to assign partial charges on molecules . However, IFF-R has not yet been parameterized to model BNNT surfaces and the virtual pi electrons to capture the polarity effect. To efficiently perform wetting simulations using MD, it is important to parameterize the IFF-R for BNNT surfaces.