Nerina Armata
Dott. Nerina Armata
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Tutor: Prof. D. Duca
Co-Tutor: Prof. R. Triolo
PhD project: Theoretical study on High Energy Density Materials
High Energy Density Materials (HEDM) are substances characterized by a high ratio between energy released after decomposition and specific weight.
The applications of this materials concern the propulsion and energy storage but their use is bounded to the possibility of controlling the decomposition reaction.
The main steps of this research concern new compounds and reagents identification, as well as synthesis and characterization.
The most studied HEDM are homonuclear polynitrogen compounds, molecules formed by a nitrogen atoms number higher than three, and organic nitrogen rich compounds, as 2,4,6-trinitro-1,3,5-triazine.
Many authors consider the azide ions the best precursors of polynitrogen homonuclear compounds.
The their possible application in the polynitrogen synthesis is investigated by computational methods (DFT and wave-function methods).
Curriculum
02-15/09/2007 - European Summerschool of Quantum Chemistry 2007 - Torre Normanna, Palermo.
27/07/2006 - Degree in Chemistry with a thesis on a computational study of HEDM – University of Study of Palermo.
Publications:
N. Armata, J. M. Dyke, F. Ferrante, G. La Manna, A computational study on cesium azide in a cyclopeptidic tubular structure, Journal of Chemical Theory and Computation, 2008, 4, 542-548 .
Communications:
I. D. Donato, N. Armata, Processo di invecchiamento naturale dei legni: verifica dell'efficacia del trattamento da misure di densità, PRIN2005 - La Diagnostica e la Conservazione di Manufatti Lignei: il legno bagnato - Cantiere delle Navi Antiche di Pisa, 5-7 Dicembre 2007.
I.D. Donato, N. Armata, Physical determination of waterlogged wood. Measurement with Accupyc 1330, Helium pycnometer, Proceedings of 10th ICOM group on Wet Organic Archaeological Materials Conference - Amsterdam, 10-15 settembre 2007.
N. Armata, F. Ferrante, G. La Manna, Studio teorico dell'interazione host-guest fra un sistema tubolare ciclopeptidico e la cesio azide, GICC 2006 - VI Convegno Nazionale del Gruppo Interdivisionale di Chimica Computazionale - Venezia, 18-21 dicembre 2006.