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Assessment of the Strength of Energetic Compounds Through the Trauzl Lead Block Expansions Using Their Molecular Structures
Author(s) -
Jafari Mohammad,
Kamalvand Mohammad,
Keshavarz Mohammad Hossein,
Farrashi Salman
Publication year - 2015
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.201500586
Subject(s) - detonation , block (permutation group theory) , explosive material , carbon fibers , intermolecular force , hydrogen , materials science , chemistry , thermodynamics , computational chemistry , molecule , physics , mathematics , combinatorics , composite material , organic chemistry , composite number
Abstract The strength of energetic materials can be expressed as the expansion of the cavity of a standard lead block through explosion of the sample. A new method is introduced for prediction of the Trauzl lead block expansions for some of the important classes of pure and mixture of energetic compounds, with the general formula of C a H b N c O d . This model needs only the molecular structure of the energetic materials without using the detonation characteristics of different explosives. The model uses the ratios of the number of carbon to oxygen ( a / d ) and hydrogen to oxygen atoms ( b / d ). The effects of intra‐ and intermolecular interactions are applied to the model by assignment of some correcting parameters upon considering certain molecular fragments. This model gives more reliable results with respect to three of the best available methods.