The influence of quantum effects on the processes of initiation of combustion and detonation of hydrogen and acetylene near the low-temperature limits at elevated pressures is analyzed. A theoretical consideration which allows quantification of the quantum corrections to the rate constants of endothermic reactions associated with an increase in the high-energy tail of the equilibrium momentum distribution function at high pressures is presented. This quantum effect is caused by a manifestation of the principle of uncertainty for the energy of the colliding particles at a high frequency of collisions. It is shown that significant deviations of experimentally observed ignition and detonation delay time from the predictions of kinetic calculations are quite well described by the proposed quantum corrections. This general mechanism should be considered in the safety problem with emergency emissions of hydrogen at nuclear power stations, as well as problems of the safe production and storage of hydrogen and acetylene, which have a fundamental importance for industry and power engineering.
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http://dx.doi.org/10.1103/PhysRevLett.109.183201 | DOI Listing |
Adv Mater
December 2024
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, P. R. China.
Laser ignition of primary explosives presents more reliable alternative to traditional electrical initiation methods. However, the commercial initiator lead azide (LA) requires a high-power density laser to detonate, with the minimum laser initiation energy (E) of 2402 mJ. Currently, the laser-ignitable metal complex-based igniters still suffer from weak detonation capabilities and high E values.
View Article and Find Full Text PDFJ Org Chem
October 2024
Energetic Materials Laboratory, Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh 208016, India.
Developing advanced metal-free nitrogen-enriched primary explosives is challenging due to the inherent risks associated with their synthesis and handling. However, there is an urgent need to develop novel lead-free, nitrogen-rich primary explosives that offer balanced energetic properties. C-N bonded bicyclic compound 3-azido-1-(1-tetrazol-5-yl)-1-1,2,4-triazol-5-amine (), its salts, and 3,5-diazido-1-1,2,4-triazole () were synthesized from inexpensive starting materials resulting in a fine blend of sensitivity and stability.
View Article and Find Full Text PDFJ Am Chem Soc
September 2024
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
We present a new integrated experimental and modeling effort that assesses the intrinsic sensitivity of energetic materials based on their reaction rates. The High Explosive Initiation Time (HEIT) experiment has been developed to provide a rapid assessment of the high-temperature reaction kinetics for the chemical decomposition of explosive materials. This effort is supported theoretically by quantum molecular dynamics (QMD) simulations that depict how different explosives can have vastly different adiabatic induction times at the same temperature.
View Article and Find Full Text PDFACS Omega
September 2024
College of Safety Science and Engineering, Nanjing Tech University, Nanjing 210009, China.
Syngas, composed of hydrogen and carbon monoxide, serves as an alternative fuel for hydrogen energy and a key raw material for chemical synthesis. However, due to its flammable nature, syngas poses risks of forming explosive mixtures in the event of a leak. This study explores potential accident scenarios in coal chemical environments involving syngas reaction vessels.
View Article and Find Full Text PDFThis study aims to address the energy efficiency release and environmental impact of coal dust in rotating detonation engines (RDEs) by monitoring the detonation characteristics of lignite and anthracite in methane gas-solid mixtures using high-precision sensor technology. Experimental results indicate that the peak detonation pressure of anthracite is 1.4% higher than that of lignite, and its detonation wave propagation speed is at least 5.
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