A Linear Regression Model for Determining the Pre-Exponential Factor and Interfacial Energy Based on the Metastable Zone Width Data

Abstract

A linear regression model is presented in this study to determine the pre-exponential factor and interfacial energy of the crystallized substance based on classical nucleation theory using the metastable zone width data. The nucleation event is assumed corresponding to a point at which the total number density of the nuclei has reached a fixed (but unknown) value. One equation is derived for any temperature-dependent functional form of the solubility. Another equation is derived for the van't Hoff solubility expression. The pre-exponential factor and interfacial energy obtained from these two equations are found consistent for the studied systems, including glutamic acid, glycine, and 3-nito-1,2,4-triazol-5-one. The results obtained from these two equations are also compared with those obtained from the integral method and classical 3D nucleation theory approach.