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Relationship between Activation Energy of Thermolysis and Friction Sensitivity of Cyclic and Acyclic Nitramines
Author(s) -
Keshavarz Mohammad Hossein,
Hayati Mehran,
GharibanLavasani Sara,
Zohari Narges
Publication year - 2016
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201500706
Subject(s) - thermal decomposition , sensitivity (control systems) , explosive material , activation energy , decomposition , thermodynamics , root mean square , materials science , chemistry , biological system , computational chemistry , mathematics , organic chemistry , physics , engineering , quantum mechanics , electronic engineering , biology
The knowledge of sensitiveness of an energetic compound to friction stimuli is important to ensure the safety of people and protection of property during shipment. The information on sensitivity to friction is considered very valuable for nitramines, which show relatively higher sensitivity with respect to the other classes of secondary explosives. This study presents a novel general simple model for prediction of the relationship between friction sensitivity and activation energy of thermolysis of cyclic and acyclic nitramines on the basis of their molecular structures. This methodology assumes that friction sensitivity of an energetic compound with general formula C a H b N c O d can be expressed as a function of activation energy of thermolysis and the contribution of specific molecular structural parameters. For 21 nitramines with different molecular structures, the new correlation has the root mean square and the average standard deviations of 14.2 and 17.8 N, respectively, as compared to experimental values. The proposed new method is also tested for further 8 nitramines containing complex molecular structures, which gives good predictions.