A model for determination of interfacial energy and pre-exponential factor from metastable zone width for the combined antisolvent/cooling, antisolvent, or cooling crystallization

Abstract

One model was developed in this study according to classical nucleation theory (CNT) to determine the interfacial energy and pre-exponential factor of the crystallized substance from metastable zone width (MSZW) for the combined antisolvent/cooling crystallization based on progressive nucleation in which nuclei are continuously formed within the MSZW range. For comparison, the other model was derived according to CNT to determine the interfacial energy and pre-exponential factor of the crystallized substance from MSZW for the combined antisolvent/cooling crystallization based on instantaneous nucleation in which all nuclei are assumed to appear abruptly at the MSZW limit. These two models are also applicable for the antisolvent without cooling crystallization or cooling without antisolvent crystallization. The combined antisolvent/cooling MSZW data of paracetamol in acetone/water and isopropyl alcohol/water mixtures, respectively, with water as antisolvent were experimentally measured in this work and analyzed using the proposed model to retrieve the corresponding interfacial energy and pre-exponential factor.