- Tytuł:
- Aminonitronaphthalenes as Possible High Energy Density Materials
- Autorzy:
-
Murawski, R. J.
Ball, D. W. - Powiązania:
- https://bibliotekanauki.pl/articles/358002.pdf
- Data publikacji:
- 2015
- Wydawca:
- Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
- Tematy:
-
high energy density materials
aminonitronaphthalenes
density functional theory calculations - Opis:
- 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.
- Źródło:
-
Central European Journal of Energetic Materials; 2015, 12, 1; 3-12
1733-7178 - Pojawia się w:
- Central European Journal of Energetic Materials
- Dostawca treści:
- Biblioteka Nauki
Artykuł