Aminonitronaphthalenes as Possible High Energy Density Materials

• Autorzy: Murawski R. J. , Ball D. W.
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

high energy density materials; aminonitronaphthalenes; density functional theory calculations

• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2015
• Tom: Vol. 12, no. 1
• Strony: 3--12
• Opis fizyczny: Bibliogr. 24 poz., rys., tab.

Twórcy

autor

Murawski R. J.

• Department of Chemistry, Cleveland State University, 2121 Euclid Avenue, Cleveland OH 44115, USA

autor

Ball D. W.

• Department of Chemistry, Cleveland State University, 2121 Euclid Avenue, Cleveland OH 44115, USA

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