Thermal explosion problem for a medium with oscillating ambient temperature at its boundaries is a new problem which was introduced in the preceding publication by the present author. It is directly applicable to a range of practical fire autoignition scenarios (e.g. in the storages of organic matter, explosives, propellants, etc.). Effects of kinetic mechanisms, however, need be further investigated as they are expected to alter critical conditions of thermal explosion. We consider several global kinetic mechanisms: first order reaction, second order reaction, and first order autocatalysis. It is demonstrated that kinetic effects related to reactants consumption do indeed shift respective critical boundaries. Effect of kinetics on oscillatory development of thermal explosion is of particular interest. In line with conclusions of the preceding publication, it is confirmed that temperature oscillations may develop during induction phase of thermal explosion when the effect of reactants consumption is properly taken into account. Moreover, development of thermal explosion instability through the prior oscillations is an inevitable and natural scenario. This fact is confirmed by a number of examples. Besides, effects of the other relevant parameter, Zeldovich number on critical conditions are also investigated.
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http://dx.doi.org/10.1038/s41598-018-22341-6 | DOI Listing |
Phys Chem Chem Phys
January 2025
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, China.
Energetic materials often possess different polymorphs that exhibit distinguishable performances. As a typical energetic material, hexanitrohexaazaisowurtzitane (CL-20 or HNIW) is one of the most powerful explosives nowadays. Phase transition of CL-20 induced by ubiquitous water vapor leading to an increase in sensitivity and a decrease in energy level is a key bottleneck that limits the widespread application of CL-20-based explosives.
View Article and Find Full Text PDFJ Mol Model
January 2025
Shanxi Jiangyang Chemical Industry Corporation, Taiyuan, 030041, Shanxi, China.
Context: To address the issue that the output charge in existing Deflagration to Detonation Transition (DDT) detonators cannot withstand high temperatures of 200 °C, and to improve the output performance of the detonator, a CL-20 (Hexanitrohexaazaisowurtzitane) based polymer bonded explosive (PBX) was investigated as the primary charge material for the detonator. To select the most suitable binder for thermal resistance, molecular dynamics (MD) simulations were employed to evaluate the performance of different binders at various crystal planes and temperatures. The results indicate that among the five PBXs models, CL-20/F exhibits the highest binding energy and the shortest bond initiation length at both ambient and elevated temperatures.
View Article and Find Full Text PDFCurr Res Food Sci
December 2024
Department of Food Nanotechnology, Research Institute of Food Science and Technology (RIFST), Mashhad, Iran.
To improve the stability of D-limonene, a protective barrier is essential to prevent degradation and maintain its integrity. Therefore, the potential of using seed gum (LPSG) as a novel source for creating electrospun nanofibers for D-limonene encapsulation was investigated by varying LPSG concentrations (0.25%, 0.
View Article and Find Full Text PDFJ Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFSci Rep
January 2025
Engineering Research Center of Flexible Radiation Protection Technology, Universities of Shaanxi Province, Xi'an Polytechnic University, Xi'an, 710048, Shaanxi, China.
The impact of light radiation, a predominant energy release mechanism in nuclear explosions, on material properties is of critical importance. This investigation employed an artificial light source to replicate the effects of nuclear explosion radiation and utilized a physical information neural network (PINN) to examine the temperature evolution and corresponding changes in the mechanical properties of carbon fiber/epoxy composites (CFEC). A light source simulating nuclear explosion's light radiation was built to irradiate the CFEC, then measure the reflection spectrum and temperature of samples.
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