DYNAMICAL DENSITY-FUNCTIONAL THEORY OF GAS-LIQUID NUCLEATION

We present a consistent dynamical nucleation theory based on density f unctional theory. By considering the properties of stable droplets in closed volumes, the height and shape of the barrier to nucleation are calculated. Contributions from fluctuations in the center of mass of t he nucleating cluster are taken into account. Forward and backward rat es for cluster dynamics are obtained, and nucleation rates are then ev aluated under steady-state conditions. We test the quantitative effect s of several shortcuts to calculating nucleation rates. The prediction s of the full theory presented here show very modest changes from thos e of the simpler nonclassical theory proposed earlier by Oxtoby and co -workers.