Active Pharmaceutical Ingredients Transportation and Release from Aerogel Particles Processes Modeling

In this work, active pharmaceutical ingredients release from aerogel particles and active pharmaceutical ingredients transportation processes were investigated. Experimental studies were carried out on the release of various types of active pharmaceutical ingredients from various types of aerogel particles. Release curves were obtained. A hybrid model using the lattice Boltzmann method and a cellular automata approach to simulate the release of active pharmaceutical ingredients from aerogel particles and active pharmaceutical ingredients transport processes is proposed. The proposed model can be used in new drug development, which allows partially replacing full-scale experiments with computational ones, therefore reducing the experimental studies cost.