Formation free energy of an i-mer at spinodal.

In statistical mechanics, the formation free energy of an i-mer can be understood as the Gibbs free energy change in a system consisting of pure monomers after and prior to the formation of the i-mer. For molecules interacting via Lennard-Jones potential, we have computed the formation free energy of a Stillinger i-mer [F. H.

Formation free energies of clusters at high supersaturations.

The Helmholtz free energy of a constrained supersaturated vapor with a cluster size distribution consisting of clusters of various sizes is modeled as a mixture of hard spheres of various sizes attracting each other. This model naturally takes into account monomer-monomer and monomer-cluster interactions, so it implicitly pertains to nonideal gases, unlike prior work. Based on this model, the expressions for the equilibrium concentration and the formation free energies of clusters in a metastable supersaturated vapor have been derived.

The free energy of the metastable supersaturated vapor via restricted ensemble simulations. III. An extension to the Corti and Debenedetti subcell constraint algorithm.

In order to improve the sampling of restricted microstates in our previous work [C. Nie, J. Geng, and W.

Radial density distribution of the metastable supersaturated vapor via restricted ensemble simulations.

Extensive restricted canonical ensemble Monte Carlo simulations [D. S. Corti and P.

The free energy of the metastable supersaturated vapor via restricted ensemble simulations. II. Effects of constraints and comparison with molecular dynamics simulations.

Extensive restricted canonical ensemble Monte Carlo simulations [D. S. Corti and P.

Study of thermal properties of the metastable supersaturated vapor with the integral equation method.

Pressure, excess chemical potential, and excess free energy data for different densities of the supersaturated argon vapor at reduced temperatures from 0.7 to 1.2 are obtained by solving the integral equation with perturbation correction to the radial distribution function [F.

The free energy of the metastable supersaturated vapor via restricted ensemble simulations.

Pressure, excess chemical potential, and excess free energy, with respect to ideal gas data at different densities of the supersaturated Lennard-Jones particle vapor at the reduced temperature 0.7 are obtained by the restricted canonical ensemble Monte Carlo simulation method [D. S.

Equilibrium adsorption on single and aggregated nanospheres.

The mean field density functional theory has been used to explore Ar adsorption onto single and double identical carbon dioxide nanospheres. We have studied adsorption from subsaturation up to saturation at several temperatures. For the single sphere case, the adsorption excesses and density profiles approach those of plane cases as the spherical substrate size increases; at each temperature, the transition from thin-film to thick-film adsorption is strongly dependent on the size of substrate and the adsorption behavior approaches to that of a plane when the substrate size goes to a large value.