Size and distribution prediction for nanoparticles produced by microemulsion precipitation: A Monte Carlo simulation study

A Monte Carlo simulation approach for BaSO4 nanoparticle precipitation in microemulsions has been applied to a semi-batch reactor experiment. The simulation includes two technical process parameters, the feed rate and the initial volume ratio of the two reactants. A set of experiments with different initial reactant concentrations of BaCl2 and K2SO4 showed a significant change in the particle size. It was compared to the simulated final particle size and with an adaptation of one internal parameter of the Monte Carlo simulation a good agreement between simulated and experimental data was achieved. Using this set of parameters the feed rate and the initial volume ratio is varied. It is shown how these process parameters influence the particle size and the size distribution. The simulation results may help in finding appropriate control parameters in a scale-up approach of the microemulsion technology for nanoparticle production.