Particle density dependence of molecular dynamics estimated reaction rates

Abstract

The dependence of the rate of reaction on the particle density of a one-dimensional gaseous system was investigated using molecular dynamics. The particle density in the system was changed by changing the size of the particles, the length of the system, and the number of particles in the system. It was found that, in general, as particle density increased, the rate of the reaction for a system that forms diatomic molecules increased. It was also shown that as the initial kinetic energy of the particles as denoted by the speed was increased, the rate of the reaction increased as well. These findings agree with empirical observations.