A New Computer Code for Assessment of Energetic Materials with Crystal density, Condensed Phase Enthalpy of Formation, and Activation Energy of Thermolysis

2012 ◽  
Vol 38 (1) ◽  
pp. 95-102 ◽  
Author(s):  
Mohammad H. Keshavarz ◽  
Hadi Motamedoshariati ◽  
Reza Moghayadnia ◽  
Majid Ghanbarzadeh ◽  
Jamshid Azarniamehraban
Keyword(s):  
Activation Energy ◽  
Enthalpy Of Formation ◽  
Condensed Phase ◽  
Energetic Materials ◽  
Computer Code ◽  
Crystal Density

scholarly journals Some nitrogen-rich heterocycles derivatives as potential explosives and propellants: A theoretical study

2016 ◽  
Vol 81 (6) ◽  
pp. 687-695
Author(s):  
Dany Frem
Keyword(s):  
Condensed Phase ◽  
Detonation Velocity ◽  
Energetic Materials ◽  
Theoretical Study ◽  
Specific Impulse ◽  
Heat Of Formation ◽  
Rocket Propellant ◽  
Crystal Density ◽  
Detonation Velocity And Pressure ◽  
Thermochemical Code

Four types of nitrogen-rich heterocycles substituted with -NO2, -NHNO2 and -C(NO2)3 explosophoric groups were explored as potential explosives and propellants materials. The calculated crystal density (?0)and the condensed phase heat of formation (?H?0f)for each of the twelve structures investigated shows that all these derivatives possess high (1.834-1.980 g cm-3)(?H?0f) and (605-2130 kJ kg-1) values. Interesting properties such as detonation velocity (D), pressure (P) and specific impulse (Isp) were calculated using the Kamlet-Jacobs method and ISPBKW thermochemical code. Detonation velocity and pressure in excess of 8.44 km s-1 and 32.87 GPa was obtained in all cases. Furthermore, trinitromethyl substituted derivatives shows performance exceeding that of HMX with an estimated D = 9.32-9.72 km s-1 and P = 40.61-43.82 GPa. Some -NO2 and -NHNO2 substituted derivatives were shown to be impact insensitive while retaining good detonation performance and thus are regarded as potential replacement for current RDX -based explosives. Finally, the calculated specific impulse (Isp between 248 and 270 s) of all investigated derivatives indicate that these energetic materials can be considered as possible ingredient in future rocket propellant compositions.

COMBUSTION OF ENERGETIC MATERIALS GOVERNED BY REACTIONS IN THE CONDENSED PHASE

2010 ◽  
Vol 9 (2) ◽  
pp. 147-192 ◽  
Author(s):  
Valery P. Sinditskii ◽  
Viacheslav Yu. Egorshev ◽  
Valery V. Serushkin ◽  
Anton I. Levshenkov ◽  
Maxim V. Berezin ◽  
...  
Keyword(s):  
Condensed Phase ◽  
Energetic Materials

Front instability in a condensed phase combustion model

2015 ◽  
Vol 4 (3) ◽  
pp. 153-176 ◽  
Author(s):  
Alexis Bonnet ◽  
Fathi Dkhil ◽  
Elisabeth Logak
Keyword(s):  
Activation Energy ◽  
Condensed Phase ◽  
Linear Instability ◽  
Combustion Model ◽  
Energy Limit ◽  
High Activation ◽  
Front Solution ◽  
High Activation Energy ◽  
Linearized Problem ◽  
Existence Of Zeros

AbstractWe consider a condensed phase (or solid) combustion model and its linearization around the travelling front solution. We construct an Evans function to characterize the eigenvalues of the linearized problem. We estimate this functional in the high activation energy limit. We deduce the existence of zeros with nonnegative real part for high activation energy, which proves the linear instability of the travelling front solution.

Nitrocellulose Catalyzed With Manganese Oxide Nanoparticles: Advanced Energetic Nanocomposite With Superior Decomposition Kinetics

2021 ◽  
Author(s):  
Sherif Elbasuney ◽  
M. Yehia ◽  
Shukri Ismael ◽  
Yasser El-Shaer ◽  
Ahmed Saleh
Keyword(s):  
Activation Energy ◽  
Particle Size ◽  
Manganese Oxide ◽  
Energetic Materials ◽  
Average Particle Size ◽  
Active Surface ◽  
Propagation Rate ◽  
Hydroxyl Groups ◽  
Average Particle ◽  
Decomposition Enthalpy

Abstract Nanostructured energetic materials can fit with advanced energetic first-fire, and electric bridges (microchips). Manganese oxide, with active surface sites (negatively charged surface oxygen, and hydroxyl groups) can experience superior catalytic activity. Manganese oxide could boost decomposition enthalpy, ignitability, and propagation rate. Furthermore manganese oxide could induce vigorous thermite reaction with aluminium particles. Hot solid or liquid particles are desirable for first-fire compositions. This study reports on the facile fabrication of MnO2 nanoparticles of 10 nm average particle size; aluminium nanoplates of 100 nm average particle size were employed. Nitrocellulose (NC) was adopted as energetic polymeric binder. MnO2/Al particles were integrated into NC matrix via co-precipitation technique. Nanothermite particles offered an increase in NC decomposition enthalpy by 150 % using DSC; ignition temperature was decreased by 8 0C. Nanothemrite particles offered enhanced propagation index by 261 %. Kinetic study demonstrated that nanothermite particles experienced drastic decrease in NC activation energy by - 42, and - 40 KJ mol-1 using Kissinger and KAS models respectively. This study shaded the light on novel nanostructured energetic composition, with superior combustion enthalpy, propagation rate, and activation energy.

Thermal Decomposition of Energetic Materials 26. Simultaneous Temperature Measurements of the Condensed Phase and Rapid-Scan FT-IR Spectroscopy of the Gas Phase at High Heating Rates

1987 ◽  
Vol 41 (7) ◽  
pp. 1147-1151 ◽  
Author(s):  
J. T. Cronin ◽  
T. B. Brill
Keyword(s):  
Real Time ◽  
Condensed Phase ◽  
Energetic Materials ◽  
Buffer Gas ◽  
Heating Rates ◽  
Decomposition Products ◽  
Gaseous Products ◽  
Rapid Scan ◽  
Ft Ir ◽  
Better Than

Rapid-scan infrared spectroscopy (RSFT-IR) with better than 100-ms temporal resolution has been used to quantify the gas decomposition products of energetic materials in real time at various heating rates up to 800°C/s and under buffer gas pressures of 1 to 1000 psi. A new method is described that permits simultaneous real-time recording of the temperature of the condensed phase and of the IR spectra of the gaseous products under the above conditions. Endothermic and exothermic events in the condensed phase can now be correlated with the evolved gases under conditions approaching those of combustion. The design and procedure for using the cell are given and are applied to the thermolysis of 1,7-diazido-2,4,6-trinitro-2,4,6-triazaheptane (DATH) and pentaery-thrityltetrammonium nitrate (PTTN).

Importance of Polarization in Simulations of Condensed Phase Energetic Materials

1999 ◽  
Vol 103 (44) ◽  
pp. 9392-9393 ◽  
Author(s):  
Michael A. Johnson ◽  
Thanh N. Truong
Keyword(s):  
Condensed Phase ◽  
Energetic Materials
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