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Comparison of experimental and theoretical pair distribution functions of ammonium nitrate

: Kempa, Paul-Bernd; Herrmann, Michael

Fraunhofer-Institut für Chemische Technologie -ICT-, Pfinztal:
Energetic Materials. Particles, Processing, Applications : 45th International Annual Conference of ICT, June 24 - 27, 2014, Karlsruhe, Germany
Pfinztal: Fraunhofer ICT, 2014
Fraunhofer-Institut für Chemische Technologie (International Annual Conference) <45, 2014, Karlsruhe>
Fraunhofer ICT ()

Energetic materials are often nanocrystalline, amorphous, liquid or gel structured. Therefore, it is difficult to obtain structural information from these materials by conventional structure analysis using X-ray diffraction.
The possibility to achieve structural information of such materials with the aid of the pair distribution function (PDF) was proofen last year. The energetic material ammonium nitrate was chosen as an example for comparative measurements on laboratory measuring systems with different wavelengths and X-ray optics and the diffraction data were used for calculating the PDFs. The investigations revealed that it is possible to calculate reasonable PDFs of energetic materials from measurements on laboratory equipment. This year the theoretical PDFs of ammonium nitrate were calculated and compared with the experimental PDFs. The comparison should show the quality of experimental PDFs and give hints to improve for measurement conditions for energetic materials.