Studies in binary nucleation: The dibutylphthalate/dioctylphthalate system

Nucleation of bubbles in binary fluids

We have applied density functional methods to predict the nucleation rates of bubbles in superheated, stretched, or supersaturated binary fluid mixtures. Our model uses Lennard-Jones mixtures, with mixing rules chosen to allow either ideal or nonideal solution behavior. Deviations from the predictions of classical nucleation theory are in general quite large, with the locus of observable bubble...

Monte Carlo simulation of homogeneous binary vaporâ•filiquid nucleation: Mutual enhancement of nucleation in a partially miscible system

Metadynamics studies of crystal nucleation

Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transition...

Nucleation Studies on Ionic Melts

INTRODUCTION Previous work on crystal nucleation in one-component melts has largely been confined to molecular liquids or metals. Molecular liquids have been studied in bulk", and in the form of clouds of droplets produced by condensation in supersaturated vapourv". Metals have also been studied in bulk 7, 8, and as droplets of microscopic size. These were produced either singly by melting smal...

Studies in micelle-mediated Pd nucleation.

Manipulation of metal atom nucleation and particle growth in solution is virtually unexplored, but highly sought after for the creation of functional materials and rational design of supramolecular structures. We therefore decided to explore this area through the self-assembly of block copolymer micelles and Pd atoms without using a chemical reduction reaction.