Related papers: Exploding Nitromethane in silico, in real time
This paper presents a new chemical kinetic model developed for the simulation of auto-ignition and combustion of engine surrogate fuel mixtures sensitized by the presence of NOx. The chemical mechanism is based on the PRF auto-ignition…
Nitrides in many ways are fascinating since they often appear as superconductors, high energy density and hard materials. Though there exist a large variety of nitrides, noble gas nitrides are long missing in nature. Pursuit of noble gas…
Potential applications of neutrino detection to nuclear security have been discussed since the 1970s. Recent years have seen great progress in detector technologies based on inverse beta decay, with the demonstration of ton-scale…
The study of chemical reactions in aqueous media is very important for its implications in several fields of science, from biology to industrial processes. Modelling these reactions is however difficult when water directly participates in…
Environmental molecular beam experiments are used to examine water interactions with liquid methanol films at temperatures from 170 K to 190 K. We find that water molecules with 0.32 eV incident kinetic energy are efficiently trapped by the…
Simulation (molecular dynamics and Car-Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]) and diffraction (x-ray and neutron) studies on nitromethane are compared aiming at the determination of the liquid structure. Beyond that, the…
Since the discovery in 1932, neutrons became a basis of many methods used not only in research, but also in industry and engineering. Among others, the exceptional role in the modern nuclear engineering is played by the neutron activation…
A method for integrating the chemical equations associated with nuclear combustion at high temperature is presented and extensively checked. Following the idea of E. M\"uller, the feedback between nuclear rates and temperature was taken…
The recent paper by Chiara et al. provided the first experimental evidence of nuclear excitation by electron capture (NEEC), responding a long-standing theoretical prediction. NEEC was inferred to be the main channel to excite an isomer in…
Understanding the behavior of molecular systems under pressure is a fundamental problem in condensed matter physics. In the case of nitrogen, the determination of the phase diagram and in particular of the melting line, are largely open…
Converting earth-abundant dinitrogen into value-added chemical ammonia is a significant yet challenging topic. Electrocatalytic nitrogen reduction reaction (NRR), compared with conventional Haber-Bosch process, is an energy-saving and…
At the nano-scale, surface phenomena such as attractive VdW forces strongly dominate; explosions may well be thought impossible. We confirm nano explosions that are important for a fractal (hierarchical, scale invariant) pore structure,…
Fire protection mainly takes place through physical or chemical pathways or both of them. The thermal diffusivity is one of the basic thermophysical properties which can connect the chemical structure. It is well-known in the literature…
Different simplified and detailed chemical models and their impact on simulations of combustion regimes initiating by the initial temperature gradient in methane/air mixtures are studied. The limits of the regimes of reaction wave…
Nitroaromatic compounds (NACs) are used in various industrial applications including dyes, inks, herbicides, pharmaceuticals, and explosives. Due to their toxicity and environmental persistence, reliable detection and monitoring methods are…
The thermal decomposition of n-dodecane, a component of some jet fuels, has been studied in a jet-stirred reactor at temperatures from 793 to 1093 K, for residence times between 1 and 5 s and at atmospheric pressure. Thermal decomposition…
Chemical looping methane partial oxidation provides an energy and cost effective route for methane utilization. However, there is considerable CO2 co-production in state-of-the-art chemical looping systems, rendering a decreased…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
To investigate the impact of matter mixing on the formation of molecules in the ejecta of SN 1987A, time-dependent rate equations for chemical reactions are solved for one-zone and one-dimensional ejecta models of SN 1987A. The latter…
In nuclear reactions induced by hadrons and ions of high energies, nuclei can disintegrate into many fragments during a short time (~100 fm/c). This phenomenon known as nuclear multifragmentation was under intensive investigation last 20…