Two open sourcet for crystallization research: automated morphology domain plotting and accessible population balance solver

摘要

In this work we present two publicly available, independent tools developed at ETH Zurich which aim at facilitating access to complex yet important topics in crystallization: Morphology domains and population balance equations. The first tool allows the easy computation and visualization of the set of possible crystal morphologies given solely information on unit cell parameters and the macroscopically present facets. A potential application of this tool is demonstrated via a case study of crystal growth of sodium chloride in the presence of barbituric acid, which acts as a pH dependent additive. The prominent morphology changes that can be observed in this system can be projected into the obtained morphology maps, allowing a simpler analysis of the complex behavior.