Change search
ReferencesLink to record
Permanent link

Direct link
Envisioning New High Energy Density Materials: Stability, Detection and Performance
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.ORCID iD: 0000-0003-2673-075X
2010 (English)In: 41st International  Annual Conference of  ICT (Energetic Materials) : , 2010, 9/1-9/11 p.Conference paper (Other academic)
Abstract [en]

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.
URN: urn:nbn:se:kth:diva-25831OAI: diva2:360017
QC 20101103Available from: 2010-11-01 Created: 2010-11-01 Last updated: 2010-11-03Bibliographically approved
In thesis
1. Green Propellants
Open this publication in new window or tab >>Green Propellants
2010 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

To enable future environmentally friendly access to space by means of solid rocket propulsion a viable replacement to the hazardous ammonium perchlorate oxidizer is needed. Ammonium dinitramide (ADN) is one of few such compounds currently known. Unfortunately compatibility issues with many polymer binder systems and unexplained solid-state behavior have thus far hampered the development of ADN-based propellants.

Chapters one, two and three offer a general introduction to the thesis, and into relevant aspects of quantum chemistry and polymer chemistry.

Chapter four of this thesis presents extensive quantum chemical and spectroscopic studies that explain much of ADN’s anomalous reactivity, solid-state behavior and thermal stability. Polarization of surface dinitramide anions has been identified as the main reason for the decreased stability of solid ADN, and theoretical models have been developed to explain and predict the solid-state stability of general dinitramide salts. Experimental decomposition characteristics for ADN, such as activation energy and decomposition products, have been explained for different physical conditions. The reactivity of ADN towards many chemical groups is explained by ammonium-mediated conjugate addition reactions. It is predicted that ADN can be stabilized by changing the surface chemistry with additives, for example by using hydrogen bond donors, and by trapping radical intermediates using suitable amine-functionalities.

Chapter five presents several conceptual green energetic materials (GEMs), including different pentazolate derivatives, which have been subjected to thorough theoretical studies. One of these, trinitramide (TNA), has been synthesized and characterized by vibrational and nuclear magnetic resonance spectroscopy.

Finally, chapter six covers the synthesis of several polymeric materials based on polyoxetanes, which have been tested for compatibility with ADN. Successful formation of polymer matrices based on the ADN-compatible polyglycidyl azide polymer (GAP) has been demonstrated using a novel type of macromolecular curing agent. In light of these results further work towards ADN-propellants is strongly encouraged.

Place, publisher, year, edition, pages
Stockholm: KTH, 2010. 77 p.
Trita-CHE-Report, ISSN 1654-1081 ; 2010:43
Quantum chemistry, reaction kinetics, ammonium dinitramide, high energy density materials, rocket propellants, chemical spectroscopy, polymer synthesis
National Category
Theoretical Chemistry Physical Chemistry
urn:nbn:se:kth:diva-25835 (URN)978-91-7415-758-1 (ISBN)
Public defence
2010-11-23, F1, Lindstedtsvägen 22, KTH, Stockholm, 09:30 (English)
QC 20101103Available from: 2010-11-03 Created: 2010-11-02 Last updated: 2011-03-21Bibliographically approved

Open Access in DiVA

No full text

Search in DiVA

By author/editor
Rahm, MartinBrinck, Tore
By organisation
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Total: 83 hits
ReferencesLink to record
Permanent link

Direct link