As part of a series of studies evaluating the thermodynamic properties of new potential high energy materials, a series of calculations was performed on a variety of naphthalene molecules having amino and nitro groups. Calculations on seven aminonitronaphthalene molecules were performed, determining their minimum-energy geometries, vibrational frequencies, and energies. Enthalpies of formation were determined using atomization reactions, and subsequently enthalpies of combustion or decomposition were determined. Specific enthalpies of decomposition ranged from 4.1-4.8 kJ/g, while specific enthalpies of combustion ranged more widely, from 13 to almost 21 kJ/g. Some detonation properties of some of the derivatives rival those of current HEDMs.
Article
Aminonitronaphthalenes as Possible High Energy Density Materials
Central European Journal of Energetic Materials
Document Type
Article
Publication Date
1-1-2015
Disciplines
Abstract
Citation Information
Murawski, R. J.; Ball, D. W. Aminonitronaphthalenes as Possible High Energy Density Materials. Cent. Eur. J. Energ. Mater. 2015, 12(1), 3-12.