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

Abstract

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