ruDEVELOPMENT OF A COMPUTER MODEL OF AGGREGATION PROCESSES IN TUBE AND FLOW REACTORS

Abstract

A new approach to modeling cluster aggregation based on the discrete event simulation (DES) paradigm using random particle wandering and aggregation on three-dimensional stochastic lattices has been applied to describe aggregation in a heterogeneous polydisperse medium. The presented approach allows taking into account different hierarchy of random particle drift times and aggregation times of clusters of different order in different regions of the working volume of the apparatus.

The developed calculation technique effectively models this process: it consists in determining the probability of collision of two or more particles with the formation of a single cluster. Nevertheless, the calculation of this probability is a separate problem, which requires taking into account the peculiarities of the physical mechanism of particle clustering. Given that the physical mechanism may differ in different systems (e.g., charged or uncharged particles, amorphous or crystalline clusters, etc.), the governing parameters of the model lose their certainty, which makes the modeling results difficult to interpret.