Philippine E-Journals

A Reaction Rate Model for Composite Particles

Karla V. Belisario

 

Abstract:

ABSTRACT

 

 

            The researcher presented an approach for the determination of the reaction rate of composite particles. It was demonstrated that the reaction rate of composite particles may be obtained from the reaction rates of its constituent particles. That is, that the composite particle reaction rate was a function of the reaction rate of each individual particle. The use of virtual modelling allowed the researcher to investigate the different configurations of the particles and determine their properties. In this study, a molecular dynamics method was utilized to simulate the behaviour of 10 particles moving in a one-dimensional ring. This was done by assuming the particles to be hard spheres interacting via the Lennard-Jones potential. Equilibrium was achieved by reducing the kinetic energy of the particles during a particle-particle collision. A pair was considered to have bonded when their separation distance corresponded to a certain fraction of the minimum potential energy. The model showed that as the fractional energy loss between collisions increases, the time to equilibrium decreases exponentially.