• Nuclear Engineering and Technology
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• v.51 no.2
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• pp.424-431
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• 2019

The aim of the present study was to develop model for detonation cell sizes prediction based on a deep artificial neural network of hydrogen, methane and propane mixtures with air and oxygen. The discussion about the currently available algorithms compared existing solutions and resulted in a conclusion that there is a need for a new model, free from uncertainty of the effective activation energy and the reaction length definitions. The model offers a better and more feasible alternative to the existing ones. Resulting predictions were validated against experimental data obtained during the investigation of detonation parameters, as well as with data collected from the literature. Additionally, separate models for individual mixtures were created and compared with the main model. The comparison showed no drawbacks caused by fitting one model to many mixtures. Moreover, it was demonstrated that the model may be easily extended by including more independent variables. As an example, dependency on pressure was examined. The preparation of experimental data for deep neural network training was described in detail to allow reproducing the results obtained and extending the model to different mixtures and initial conditions. The source code of ready to use models is also provided.

• Journal of the Korean Chemical Society
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• v.60 no.1
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• pp.9-15
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• 2016

The theoretical investigation has been performed to predict detonation velocity, detonation pressure, and thermodynamic stability of HMX/LLM-116 cocrystal. All possible geometries of HMX, LLM-116, and cocrystal have been optimized at the B3LYP/cc-pVTZ level of theory. The binding energy for the trigger bond and cluster has been calculated to predict the thermodynamic stability. The MP2 binding energies were obtained using single point energy calculation at the B3LYP optimized geometries, and the density has been calculated from monte carlo integration. The detonation velocity and detonation pressure have been calculated using Kamlet-Jacobs equation, while enthalpy has been predicted at the CBS-Q level of theory.

• Journal of Korean Society of Disaster and Security
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• v.16 no.1
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• pp.61-70
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• 2023

This study presents an analytical study of investigating the effect of shock waves generated by the hydrogen detonation and damage to structures for the safety evaluation of hydrogen storage facilities against detonation. Blast scenarios were established considering the volume of the hydrogen storage facility of 10 L to 50,000 L, states of charge (SOC) of 50% and 100%, and initial pressures of 50 MPa and 100 MPa. The equivalent TNT weight for hydrgen detonation was determined considering the mechanical and chemical energies of hydrogen. A hydrogen detonation model for the converted equivalent TNT weight was made using design equations that improved the Kingery-Bulmash design chart of UFC 3-340-02. The hydrogen detonation model was validated for overpressure and impulse in comparison to the past experimental results associated with the detonation of hydrogen tank. A parametric study based on the blast scenarios was performed using the validated hydrogen detonation model, and design charts for overpressure and impulse according to the standoff distance from the center of charge was provided. Further, design charts of the three-stage structural damage and standoff distance of adjacent structures according to the level of overpressure and impact were proposed using the overpressure and impulse charts and pressure-impulse diagrams.

• Bulletin of the Korean Chemical Society
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• v.24 no.1
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• pp.19-22
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• 2003

For CHNO explosives, two new correlations of the form $P_{CJ}\;=\;8.7({\alpha}T_c')^{1/2}{\rho}_0^2-5\;and\;P_{CJ}\'=\'9.5({\alpha}T_c')^1/2{\rho}_0^2-9$ have been demonstrated, which relate detonation pressure, $P_{CJ}$; combustion temperature of the explosive in gas phase, $T_c$; combustion temperature of the explosive in crystalline state, $T_c'$; and the number of moles of gaseous products per unit weight of explosive, α; at initial density of the explosive, ${\rho}_0$. Experimental and semi-empirical PM3 procedures were used for the computation of $T_c$. Detonation pressures derived in this manner have a simple form without need to use computer code.

• Journal of Korean Society of Steel Construction
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• v.28 no.4
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• pp.271-280
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• 2016

The need to accurate quantification of blast pressure loading in the near field is important because the focus of security design of critical infrastructure, buildings and bridges is for near-field detonations. Incident and reflected pressures for near-field detonations are very difficult to be measured by commercially available pressure transducers due to the high pressure and temperature, which requires a verified and validated computational fluid dynamics code to reasonably predict the near-field pressures and impulses. This paper presents numerical studies to verify and validate a CFD code for calculations of incident and reflected overpressures and impulses. The near field is emphasized and recommendations for mesh sizes to optimally simulate the near-field detonation are provided.

• Explosives and Blasting
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• v.24 no.2
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• pp.23-31
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• 2006

Optimum additive which gets Possible detonation sensitivity and minimum stability has been selected among several additives. It is able to mitigate a chemical reaction without destroying a structure of emulsion. Kinecker has been developed by mixing both matrix and selected additive through a perfect formulation. The detonation pressure is reduced by 40.66%(47.27% by Nitro Dyne's program), and hole pressure by 33.25% and even VOD by 52.88% against currently used emulsion explosives.

• Journal of the Korean Institute of Gas
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• v.16 no.1
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• pp.8-14
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• 2012

Hydrogen is considered to be the most important future energy carrier in many applications reducing significantly greenhouse gas emissions, but the explosion safety issues associated with hydrogen applications need to be investigated and fully understood to be applicable as the carrier. The risk associated with a explosion depends on an understanding of the impacts of the explosion, particularly the pressure-time history during the explosion. This work provides the effects of explosion parameters, such as specific heat ratio of burned and unburned gas, equilibrium maximum explosion pressure, and burning velocity, on the pressure-time history with flame growth model. The pressure-time history is dominantly depending on the burning velocity and equilibrium maximum explosion pressure of hydrogen-air mixture. The pressure rise rate increase with the burning velocity and equilibrium maximum explosion pressure. The specific heat ratio of unburned gas has more effect on the final explosion pressure increase rate than initial explosion pressure increase rate. However, the specific heat ratio of burned gas has more influence on initial explosion pressure increase rate. The flame speeds are obtained by fitting the experimental data sets. The flame speeds for hydrogen in air based on our experimental data is very low, making a transition from deflagration to detonation in a confined space unlikely under these conditions.

• 한국전산유체공학회:학술대회논문집
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• 2008.03a
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• pp.367-373
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• 2008

Spinning detonations propagating in a circular tube were numerically investigated with a one-step irreversible reaction model governed by Arrhenius kinetics. Activation energy is used as parameter as 10, 20, 27 and 35, and the specific heat ratio and the heat release are fixed as 1.2 and 50. The time evolution of the simulation results was utilized to reveal the propagation mechanism of single-headed spinning detonation. The track angle of soot record on the tube wall was numerically reproduced with various levels of activation energy, and the simulated unique angle was the same as that of the previous reports. The maximum pressure histories of the shock front on the tube wall showed stable pitch at Ea=10, periodical unstable pitch at Ea=20 and 27 and unstable pitch consisting of stable, periodical unstable and weak modes at Ea=35, respectively. In the weak mode, there is no Mach leg on the shock front, where the pressure level is much lower than the other modes. The shock front shapes and the pressure profiles on the tube wall clarified the mechanisms of these stable and unstable modes. In the stable pitch at Ea=10, the maximum pressure history on the tube wall remained nearly constant, and the steady single Mach leg on the shock front rotated at a constant speed. The high and low frequency pressure oscillations appeared in the periodical unstable pitch at Ea=20 and 27 of the maximum pressure history. The high frequency was one cycle of a self-induced oscillation by generation and decay in complex Mach interaction due to the variation in intensity of the transverse wave behind the shock front. Eventually, sequential high frequency oscillations formed the low frequency behavior because the frequency behavior was not always the same for each cycle. In unstable pitch at Ea=35, there are stable, periodical unstable and weak modes in one cycle of the low frequency oscillation in the maximum pressure history, and the pressure amplitude of low frequency was much larger than the others. The pressure peak appeared after weak mode, and the stable, periodical unstable and weak modes were sequentially observed with pressure decay. A series of simulations of spinning detonations clarified that the unsteady mechanism behind the shock front depending on the activation energy.

• 한국전산유체공학회:학술대회논문집
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• 2008.10a
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• pp.367-373
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• 2008

Spinning detonations propagating in a circular tube were numerically investigated with a one-step irreversible reaction model governed by Arrhenius kinetics. Activation energy is used as parameter as 10, 20, 27 and 35, and the specific heat ratio and the heat release are fixed as 1.2 and 50. The time evolution of the simulation results was utilized to reveal the propagation mechanism of single-headed spinning detonation. The track angle of soot record on the tube wall was numerically reproduced with various levels of activation energy, and the simulated unique angle was the same as that of the previous reports. The maximum pressure histories of the shock front on the tube wall showed stable pitch at Ea=10, periodical unstable pitch at Ea=20 and 27 and unstable pitch consisting of stable, periodical unstable and weak modes at Ea=35, respectively. In the weak mode, there is no Mach leg on the shock front, where the pressure level is much lower than the other modes. The shock front shapes and the pressure profiles on the tube wall clarified the mechanisms of these stable and unstable modes. In the stable pitch at Ea=10, the maximum pressure history on the tube wall remained nearly constant, and the steady single Mach leg on the shock front rotated at a constant speed. The high and low frequency pressure oscillations appeared in the periodical unstable pitch at Ea=20 and 27 of the maximum pressure history. The high frequency was one cycle of a self-induced oscillation by generation and decay in complex Mach interaction due to the variation in intensity of the transverse wave behind the shock front. Eventually, sequential high frequency oscillations formed the low frequency behavior because the frequency behavior was not always the same for each cycle. In unstable pitch at Ea=35, there are stable, periodical unstable and weak modes in one cycle of the low frequency oscillation in the maximum pressure history, and the pressure amplitude of low frequency was much larger than the others. The pressure peak appeared after weak mode, and the stable, periodical unstable and weak modes were sequentially observed with pressure decay. A series of simulations of spinning detonations clarified that the unsteady mechanism behind the shock front depending on the activation energy.

• Journal of the Korean Chemical Society
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• v.66 no.3
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• pp.185-193
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• 2022

The theoretical investigation has been performed to predict thermodynamic stability, density, detonation velocity, and detonation pressure of energetic salts produced by pairing of nitrogen-rich anions (tetrazine, oxadiazole etc.) and cations (NH₃OH⁺, NH₂NH₃⁺, CH₉N₆⁺, C₂H₆N₅⁺). All possible geometries and the binding energy for the trigger bond of energetic salts have been optimized at the B3LYP/cc-pVDZ level of theory. The detonation velocity and detonation pressure have been calculated using Kamlet-Jacobs equation, while enthalpy has been predicted at the G2MP2 level of theory. The predicted results reveal that the energetic salts including small sized NH₃OH⁺(1) and NH₂NH₃⁺(2) cations increase detonation property. And also the energetic salts including more amino group (-NH₂) such as CH₉N₆⁺(3) cation increase thermodynamic stability. These results provide basic information for the development the high energy density materials (HEDMs).