Modeling of the mechanical treatment of a solid reactant under active gas in the high-energy mill on the example of the titanium-gaseous nitrogen system

Abstract

A mathematical model for calculating the dynamics of product formation (titanium nitride) in the gas (nitrogen) medium during milling and activation of a solid reactant in the high-energy mill was built based on a new macrokinetic theory of mechanochemical synthesis. For the first time, the model uses an approach based on the theory of short-lived active sites to take into account the intensification of chemical processes in the volume of the solid and on the surface formed during destruction. The model can calculate the following macroscopic parameters: temperature, depth of chemical transformations, size of particles, gas pressure, structural defects of particles (excess energy). An analytical formula for determining the mechanochemical reaction on an active surface was derived. The modelling results were compared with the known experimental data.