Introducing Novel Tetrazole Derivatives as High Performance Energetic Compounds for Confined Explosion and as Oxidizer in Solid Propellants

Abstract

This paper introduces five novel high-nitrogen content (N > 50%) tetrazole derivatives with desirable physicothermal properties, high detonation and combustion performance as well as suitable sensitivities with respect to external stimuli electric spark and heat. Suitable density functional theory (DFT) and empirical methods were used to predict their crystal density, melting point, condensed phase heat of formation, enthalpy of fusion, Gibbs free energy of formation, velocity of detonation, detonation pres-sure, Gurney velocity, heat of detonation, power (strength), brisance, impact sensitivity, electric spark sensitivity, heat sensitivity and specific impulse. Two compounds 5,5'-[(1Z,5Z)-3,4-dinitrohexaaza-1,5-diene-1,6-diyl]bis(1-nitro-1Htetrazole) and 3,3',7,7'-tetranitro-3,3a,3',3'a-tetrahydro-7H,7'H-6,6'-bitetrazolo [1,5-e]pentazine as compared to the other new derivatives can be introduced as high performance explosives for confined explosion and oxidizers in solid propellants.Keywords: Tetrazole derivative · High-nitrogen content material · High performance · Physicothermal property 2 Materials and Methods For prediction of crystalline densities of the new compounds 1 to 5, a new method on the basis of DFT at the B3LYP/6-31G(d,p) with the Gaussian program package was used [22,23]. The best available new and reliable empirical [a] M.

Synthesis and Investigation of the New Derivatives of Poly(Epichlorohydrin) Containing Energetic Groups

“…Because heats of detonation and combustion are very important parameters for detonation and combustion performances [22,[31][32][33][34][35][36][37][38][39][40], respectively, PMDN with high value of heat of decomposition (742 J/g) can be considered as an attractive high energetic binder. Two results can be obtained from three reactions given in Scheme 2 and thermal analysis data: (a) it can be expected that PMP has the higher positive value of D f H q solid than PMN and PMDN; and (b) PMDN may be more efficient binder in providing higher detonation and combustion performances than PMN and PMP due to higher value of its heat of decomposition [22,47,48]. The solubility of PECH, PMP, PMN and PMDN were tested with 50 mg polymer in 5 ml solvent at room temperature.…”

A Novel Approach for the Prediction of Electric Spark Sensitivity of Polynitroarenes Based on the Measured Data from a New Instrument

“…These parameters are effective external variables, which depend on the kind of instrument used for the measurement of electric spark sensitivity [4][5][6]. Electric spark sensitivity depends also on other internal parameters, such as the chemical entity of a given material, its granulometry and grain shape, mechanical properties, temperature, moisture content, and its thermal and impact reactivities [3,7,8]. There are several different approaches and types of apparatus reported in the literature for measuring and solving electric spark sensitivity, where there is a linear relationship between the test results obtained with some apparatus types [9].…”

Environmentally safe (chlorine-free): new green propellant formulation based on 2,2,2-trinitroethyl-formate and HTPB

“…[19][20][21] These compounds are based on orthocarbonates, tetrazoles, carbamates, nitrocarbamates, formates, pyrazoles and triazoles. [22][23][24] Epishina et al 25 has synthesized 2,2,2-trinitroethanol (TNE) using Henry and Mannich reactions, which is important and suitable starting material for a numerous compounds which have been synthesized during the recent studies. 26 2,2,2-Trinitroethylformate (TNEF) is a new interesting high energy dense oxidizer (HEDO) that has density of 1.81 g cm À3 , oxygen balance of (UCO 2 ) of 10.1%, impact sensitivity of 5 J and friction sensitivity of 96 N. 27 TNEF is a chlorine-free HEDO, which might have high performance and has not been studied in any propellant formulation yet.…”