Journal of Crystal Growth, Vol.262, No.1-4, 602-611, 2004
Numerical simulations of crystal growth in a transdermal drug delivery system
Grain growth by precipitation and Ostwald ripening in an unstressed matrix of a dissolved crystallizable component was simulated using a kinetic Monte Carlo model. This model was used previously to study Ostwald ripening in the high crystallizable component regime and was shown to correctly simulate solution, diffusion and precipitation. In this study, the same model with modifications was applied to the low crystallizable regime of interest to the transdermal drug delivery system (TDS) community. We demonstrate the model's utility by simulating precipitation and grain growth during isothermal storage at different supersaturation conditions. The simulation results provide a first approximation for the crystallization occurring in TDS. It has been reported that for relatively higher temperature growth of drug crystals in TDS occurs only in the middle third of the polymer layer. The results from the simulations support these findings that crystal growth is limited to the middle third of the region, where the availability of crystallizable components is the highest, for cluster growth at relatively high temperature. (C) 2003 Elsevier B.V. All rights reserved.
Keywords:drug crystallization;drug delivery;Monte Carlo simulation;Ostwald ripening;precipitation;transdermal drug delivery;grain growth