BH3-Amine and B(CH3)3-Amine Adducts as Additives for Liquid/Gel Hypergols and Solid Hybrid Rocket Motor Fuels: Property and Performance Predictions

Report No. ARL-TR-6749
Authors: Michael McQuaid; Chiung-Chu Chen
Date/Pages: December 2013; 38 pages
Abstract: BH3-amine and B(CH3)3-amine adducts were investigated as potential additives for rocket-propellant formulations. The investigation included the calculation of property predictions for a variety of known and notional adducts. Property predictions were based on results from quantum chemistry methods. Predicted gas-phase properties included B-N bond dissociation energies (BDEs) and enthalpies of formation at 298 K [ΔfHg(298)]. Predicted condensed-phase properties included enthalpies of sublimation [DHs(298)], enthalpies of formation at 298 K [ΔfHc(298)], and densities (p). Values for these properties that were derived from measured data or higher-level computational methods were also obtained from open literature sources. In the course of the literature search, assessments of the thermal and/or air stabilities of some adducts were identified, and an attempt was made to correlate them with B-N BDEs. The ΔfHc(298) estimates were employed as input for thermochemical code-based calculations of the specific impulse that adducts could potentially generate when combined with inhibited red fuming nitric acid. Results from the study indicate that several BH3-amine adducts warrant further investigation as additives for liquid/gel hypergols or for solid fuels for hybrid concepts.
Distribution: Approved for public release
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Last Update / Reviewed: December 1, 2013