scholarly journals Effect of C–O Bonding on the Stability and Energetics of High-Energy Nitrogen-Carbon Molecules N10C2 and N16C2

2014 ◽  
Vol 2014 ◽  
pp. 1-7
Author(s):  
Douglas L. Strout
Keyword(s):  
Energy Release ◽  
High Energy ◽  
Energy Materials ◽  
Complex Molecules ◽  
High Energy Materials ◽  
Rapid Decomposition ◽  
The Subject ◽  
Carbon Molecules ◽  
The Stability ◽  
Thermodynamic Energy

Molecules consisting of nitrogen have been the subject of much attention due to their potential as high-energy materials. Complex molecules consisting entirely of nitrogen can be subject to rapid decomposition, and therefore other atoms are incorporated into the structure to enhance stability. Previous studies have explored the incorporation of carbon atoms into otherwise all-nitrogen cages molecules. The current study involves two such cages, N10C2 and N16C2, whose structures are derived from N12 and N18, respectively. The N10C2 and N16C2 cages in this study are modified by bonding groups O3 and CO3 to determine the effect on the relative energies between the isomers and on the thermodynamic energy release properties. Energetic trends for N10C2 and N16C2 are calculated and discussed.

scholarly journals Carbon Substitution on N24Cages: Crossover between Triangular and Hexagonal Structures

2013 ◽  
Vol 2013 ◽  
pp. 1-6
Author(s):  
Carrie Sanders ◽  
Douglas L. Strout
Keyword(s):  
Theoretical Calculations ◽  
High Energy ◽  
Energy Materials ◽  
Cylindrical Structures ◽  
High Energy Materials ◽  
Energy Applications ◽  
Carbon Substitution ◽  
Complex Forms ◽  
The Stability ◽  
Carbon Inclusion

Complex forms of nitrogen are of interest for their potential as high-energy materials, but many all-nitrogen systems lack the stability for practical high-energy applications. Inclusion of carbon atoms in an otherwise all-nitrogen structure can increase stability. Nitrogen cages are known for energetically preferring cylindrical structures with triangular endcaps, but carbon cages prefer the pentagon-hexagon structure of the fullerenes. Previous calculations on N22C2have shown that carbon inclusion narrows the gap between triangular and fullerene-like structures. In the current study, three isomers of N24are used as frameworks for carbon substitution. Theoretical calculations are carried out on isomers of N20C4, N18C6, and N16C8, with the goal of determining what level of carbon substitution causes the carbon fullerene-like structures to become energetically preferred.

EFFECT OF BORON ON THE COMBUSTION CHARACTERISTICS OF METALLIZED HIGH-ENERGY MATERIALS

2020 ◽  
Author(s):  
A. Korotkikh ◽  
◽  
I. Sorokin ◽  
◽  
Keyword(s):  
Specific Impulse ◽  
Equilibrium Composition ◽  
Combustion Products ◽  
High Energy ◽  
Combustion Characteristics ◽  
Solid Propellants ◽  
Energy Materials ◽  
High Energy Materials ◽  
Condensed Combustion Products ◽  
Active Fuel Binder

The paper presents the results of thermodynamic calculations of the effect of pure boron additives on combustion characteristics of high-energy materials (HEM) based on ammonium perchlorate, ammonium nitrate, active fuel-binder, and powders of aluminum Al, titanium Ti, magnesium Mg, and boron B. The combustion parameters and the equilibrium composition of condensed combustion products (CCPs) of HEM model compositions were obtained with thermodynamic calculation program “Terra.” The compositions of solid propellants with different ratios of metals (Al/B, Ti/B, Mg/B, and Al/Mg/B) were considered. The combustion temperature Tad in a combustion chamber, the vacuum specific impulse J at the nozzle exit, and the mass fraction ma of the CCPs for HEMs were determined.

THERMAL BEHAVIOR AND IGNITION OF HIGH-ENERGY MATERIALS CONTAINING B, ALB2, AND TIB2

2020 ◽  
Author(s):  
A. G. Korotkikh ◽  
◽  
V. A. Arkhipov ◽  
I. V. Sorokin ◽  
E. A. Selikhova ◽  
...  
Keyword(s):  
Heat Flux ◽  
Thermal Behavior ◽  
Flux Density ◽  
Ignition Delay ◽  
Delay Time ◽  
Heat Flux Density ◽  
Ignition Delay Time ◽  
High Energy ◽  
Energy Materials ◽  
High Energy Materials

The paper presents the results of ignition and thermal behavior for samples of high-energy materials (HEM) based on ammonium perchlorate (AP) and ammonium nitrate (AN), active binder and powders of Al, B, AlB2, and TiB2. A CO2 laser with a heat flux density range of 90-200 W/cm2 was used for studies of ignition. The activation energy and characteristics of ignition for the HEM samples were determined. Also, the ignition delay time and the surface temperature of the reaction layer during the heating and ignition for the HEM samples were determined. It was found that the complete replacement of micron-sized aluminum powder by amorphous boron in a HEM sample leads to a considerable decrease in the ignition delay time by a factor of 2.2-2.8 at the same heat flux density due to high chemical activity and the difference in the oxidation mechanisms of boron particles. The use of aluminum diboride in a HEM sample allows one to reduce the ignition delay time of a HEM sample by a factor of 1.7-2.2. The quasi-stationary ignition temperature is the same for the AlB2-based and AlB12-based HEM samples.

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