The shape of isolated API particles has a large impact on their downstream performance. To improve downstream processing of powders, a novel software package is required to predict the steady-state shape of API particles through the estimation of the relative growth rates of crystal faces. The predictive models implemented in the software package shall capture the effect of operating conditions on the relative growth rates of crystal faces. The software package shall enable comparison of the predicted morphology with experimental results as well as enable comparison of crystal morphologies predicted at different operating conditions.
The current software packages either (1) predict the steady-state shape by applying the attachment energy model or the Bravais model, both of which rely solely on crystal properties; or (2) predict the steady-state in the spiral growth regime as a function of operating conditions. In addition, academic groups have had success in predicting the crystal shape through molecular dynamics simulations.