Exothermic Chemical System Research Articles

Mechanochemical ignition of self-propagating reactions in equimolar Al-Ni powder mixtures and multilayers.

This work addresses a long standing question in the field of mechanochemistry, namely the role of mesostructure in the initiation of self-propagating high-temperature reactions in exothermic chemical systems, commonly referred to as ignition. In an attempt to find robust evidence in this regard, we compare the ignition behaviour of equimolar Al-Ni powder mixtures and equimolar Al-Ni multilayers. To achieve the best possible control of experimental conditions and allowing high reproducibility, we used elemental powders sieved in the range between 20 μm and 44 μm, and multilayers with bi-layer thickness between 10 nm and 800 nm. We carried out systematic ball milling experiments involving pristine powder mixtures and multilayers as well as a mix of pristine material and material prone to ignition suitably prepared. Experimental findings suggest that pristine powder mixtures and multilayers with bi-layer thickness of 240 nm have analogous ignition behaviour. Along the same lines, data suggest that pristine powder mixtures undergo ignition when they attain a mesostructure similar to that of multilayers with bi-layer thickness of 10 nm.

Validity of macroscopic rate equations in exothermic chemical systems.

A molecular-dynamics computer experiment is set up to study the stationary properties of an exothermic gas phase chemical system. A discrepancy is observed between the results of the simulation and predictions from macroscopic chemical kinetics. The origin of this discrepancy is found to arise from the deformation of the Maxwell distribution by reactive collisions. Quantitative agreement with the corrected rate law is established.