We propose a predictive Density Functional Theory (DFT) for the calculation of solvation free energies. Our approach is based on Helmholtz free-energy functional that consistent with perturbed-chain SAFT (PC-SAFT) equation state. This allows coarse-grained description solvent, an inhomogeneous density PC-SAFT segments. The solute, other hand, described in full detail by atomistic Lennard-Jones ...

We analyze two-dimensional large N c QCD at finite temperature and show explicitly that the free energy has the correct N c dependence.

In this paper, starting from the classical 3D micromagnetic energy, we determine, via an asymptotic analysis, the free energy of two joined ferromagnetic thin films. We distinguish different regimes depending on the limit of the ratio between the small thicknesses of the two films.

Direct Monte Carlo simulation of internal energies of departure for binary mixtures of geological interest are gathered and compared to those calculated using a linear mixing rule. Simulation results for gas–oil, oil–oil, and oil–water mixtures show that the linear mixing rule used in the Gibbs–Helmholtz Constrained (GHC) equation of state framework gives accurate approximations of binary mixtu...

We show that the free energy of the topological string admits a certain pole structure by using the operator formalism. Combined with the results of Peng that proved the integrality, this gives a combinatoric proof of the Gopakumar–Vafa conjecture.

In this note we consider the (de)localization transition for random directed (1 + 1)–dimensional copolymers in the proximity of an interface separating selective solvents. We derive a rigorous lower bound on the free energy. This yields a substantial improvement on the bounds from below on the critical line that were known so far. Our result implies that the critical curve does not lie below th...

We investigate the ordered morphologies occurring in thin-films diblock copolymer. For temperatures above the order-disorder transition and for an arbitrary two-dimensional surface pattern, we use a Ginzburg-Landau expansion of the free energy to obtain a linear response description of the copolymer melt. The ordering in the directions perpendicular and parallel to the surface are coupled. Thre...