Premium
Theoretical Prediction of Physicochemical Properties, Performances and Sensitivities of some New Derivatives of Dinitro Triazolyl Triazine
Author(s) -
Keshavarz Mohammad Hossein,
Esmailpoor Karim,
Tehrani Masoud Kavosh
Publication year - 2010
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.200900003
Subject(s) - propellant , explosive material , triazine , energetic material , oxygen balance , chemistry , nitrogen , combinatorial chemistry , computational chemistry , materials science , organic chemistry , oxygen
In this paper, important properties of some new derivatives of dinitro triazolyl triazine as novel heterocyclic energetic compounds are evaluated and discussed by using some reliable models. The predicted properties are also compared with octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine (HMX) as a benchmark compound and 2,4,6‐trinitro‐1,3,5‐triazine (TNTA) as a theoretically new high performance energetic compound. It is shown that some of these compounds can be seen as interesting high‐nitrogen organic explosives with relatively low sensitivity which could be introduced for some important industrial applications. Since some of the new compounds have good oxygen balance, calculated specific impulses confirm that these compounds can be considered as suitable oxidizers in solid propellants.