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

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 [DeltafHg(298)]. Predicted condensed-phase properties included enthalpies of sublimation [DeltaHs(298)], enthalpies of formation at 298 K [DeltafHc(298)], and densities (rho). 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 DeltafHc(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.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2013
Accession Number
ADA592051

Entities

People

  • Chiung-chu Chen
  • Michael Mcquaid

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Air Platforms
  • Biomedical
  • Weapons Technologies

DTIC Thesaurus Topics

  • Chemical Analysis
  • Chemical Compounds
  • Chemical Synthesis
  • Chemistry
  • Computational Science
  • Energetic Materials
  • Materials Laboratories
  • Materials Processing
  • Materials Science
  • Nitrogen Compounds
  • Organic Chemistry
  • Physical Chemistry
  • Propulsion Systems
  • Rocket Engines
  • Rocket Oxidizers
  • Rocket Propellants
  • Thermochemistry

Readers

  • Combustion science or combustion engineering.
  • Computational Modeling and Simulation
  • Quantum Chemistry

Technology Areas

  • Quantum Computing