Prediction of crystal densities of organic explosives by group additivity
- 1 August 1981
- report
- Published by Office of Scientific and Technical Information (OSTI)
Abstract
The molar volume of crystalline organic compound is assumed to be a linear combination of its constituent volumes. Compounds consisting only of the elements hydrogen, carbon, nitrogen, oxygen, and fluorine are considered. The constituent volumes are taken to be the volumes of atoms in particular bonding environments and are evaluated from a large set of crystallographic data. The predicted density has an expected error of about 3%. These results are applied to a large number of explosives compounds.Keywords
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