A simple model for predicting crystallization and melting temperatures, and its implications for phase transitions in confined volumes

TL;DR

This paper introduces a simplified model based on classical nucleation theory to predict crystallization and melting temperatures, including in confined systems, by considering surface layer effects and interfacial tensions.

Contribution

It unifies homogeneous and heterogeneous nucleation models and extends classical nucleation theory to confined volume phase transitions.

Findings

Model accurately predicts melting and crystallization temperatures.

Applicable to confined systems with known interfacial tensions.

Provides a framework for understanding phase transitions in restricted geometries.

Abstract

We present a simple unifying model for crystallization and melting temperatures by showing that homogeneous nucleation and phase transformations driven by thickening of pre-existing surface layers are limiting conditions of the more general heterogeneous nucleation case. Furthermore, to a first approximation all these processes can be described by an extended classical nucleation theory. The model can also be applied to phase transition temperatures in confined volumes, provided reliable values for the interfacial tensions within the systems are determinable. The expected melting and crystallization temperature for any transformation pathway can then be predicted.