Envisioning New High Energy Density Materials: Stability, Detection and Performance
2010 (English)In: 41st International Annual Conference of ICT (Energetic Materials) : , 2010, 9/1-9/11 p.Conference paper (Other academic)
There is great need for new environmentally friendly energetic materials. One promising oxidizer currently under investigation for numerous applications is ammonium dinitramide (ADN, NH4N(NO2)2). After deciphering the thermal decomposition behavior of this salt theoretically, we have sought to find other all-nitrogen-oxygen compounds with similar advantageous properties. By considering electronic and structural characteristics related to the dinitramide, we have investigated a number of promising energetic anions using high-level density functional theory and ab initio methods. Theoretical kinetic stabilities, UV-spectra, solid-state heats of formation, densities, as well as propellant performances of the corresponding ammonium salts with aluminum fuel are reported. The potential for significant performance gains is seen by comparison to standard ammonium perchlorate (AP) and ADN-formulations. Reasonable stabilities and straightforward detection at room temperature should encourage attempted synthesis of several of the investigated materials.
Place, publisher, year, edition, pages
2010. 9/1-9/11 p.
IdentifiersURN: urn:nbn:se:kth:diva-25831OAI: oai:DiVA.org:kth-25831DiVA: diva2:360017
QC 201011032010-11-012010-11-012010-11-03Bibliographically approved