Dynamics of First-Order Phase Transitions

University Of Chicago, Chicago IL

Investigators

Abstract

David Oxtoby, University of Chicago, and Vincente Talanquer, University of Arizona, are supported to continue their research on the dynamics of first-order phase transitions. They use classical density-functional theory to understand the dynamics of first-order phase transitions with applications aimed at formation of bubbles in heated or expanding fluids. The research proceeds by determining which order parameters play a role in phase transitions and in determining the conditions that lead to a breakdown in classical nucleation theory. The methodology allows one to systematically study how generic types of molecular characteristics influence nucleation. In addition to a strong focus on secondary school chemistry education, Talanquer actively participates in physical-chemistry research with density-functional-based studies of partially miscible binary liquid interfaces. When mixtures of surfactants, water and oil are brought together bilayer membranes occur which can spontaneously distort into closed bubble-like structures referred to as micelles or vesicles. Such structures have many uses and may be used as templates for fabrication of small particles, for the capture and subsequent encapsulation of chemically aggressive constituents, or for programmed drug delivery. Further, such structures carry cholesterol in the human body. Fusion of such structures has been implicated in the growth of gallstones. This work is aimed at computationally understanding growth and evolution of such structures using classical density functional theory. In addition to the biological impact, understanding gleaned from this work is of import to metallurgical applications, atmospheric science, protein crystallization and petroleum engineering.