David S. Corti of Purdue University is supported by the Theoretical and Computational Chemistry Program to develop a molecular theory of homogeneous bubble nucleation in superheated liquids. A variety of theoretical and molecular simulation methods are in use to study cavity and bubble formation in several model liquids. The goal is to provide an improved molecular-based understanding of first-order phase transitions in liquids. Investigations are underway to understand the statistical mechanical origin of the locus of instability predicted in superheated liquids, and the connection between cavity creation and bubble formation. This information is leading to accurate quantitative predictions of bubble nucleation rates in liquids, and will serve as a guide to modifications of phenomenological approaches currently in use. This work is having a broader impact in increasing our understanding of the liquid phase and phase transitions, which has relevance in material processing and manufacturing. Students involved in this research receive a solid foundation in statistical mechanics, thermodynamics and molecular simulation. Results of the research provide material for classroom discussions of the molecular-based description of bubble nucleation. These discussions bring cutting-edge research problems within the grasp of undergraduates from diverse areas of study.
