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Keywords:

  • computer simulations (MC and MD);
  • mathematical modeling;
  • population balances;
  • aggregation kernel;
  • multiscale modeling

The present work attempts to consider the microscopic mechanisms of spray fluidized bed agglomeration while modeling the macroscopic kinetics of the process. A microscale approach, constant volume Monte-Carlo simulation, is used to analyze the effects of micro-processes on the aggregation behavior and identify the influencing parameters. The identified variables, namely the number of wet particles, the total number of particles, and the number of droplets are modeled and combined in the form of an aggregation kernel. The proposed kernel is then used in a one-dimensional population balance equation for predicting the particle number density distribution. The only fitting parameters remaining in the population balance system are the collision frequency per particle and a success fraction accounting for the dissipation of kinetic energy. Predictions of the population balance model are compared with the results of Monte-Carlo simulations for a variation of significant operating parameters and found to be in good agreement. © 2014 American Institute of Chemical Engineers AIChE J, 60: 855–868, 2014