Synopsis A comprehensive, semi-quantitative model for the thermodynamics of hydrophobic sol-vation is presented. The model is based on a very simple premise suggested by the scaled particle theory and treats both solute and solvent molecules as hard spheres. A connection between the peculiarly large heat-capacity change for hydrophobic solvation and the large temperature dependence of the therm...

We introduce an expansion of the equation of state for additive hard-sphere mixtures in powers of the total packing fraction with coefficients which depend on a set of weighted densities used in scaled particle theory and fundamental measure theory. We demand that the mixture equation of state recovers the quasiexact Carnahan-Starling [J. Chem. Phys. 51, 635 (1969)] result in the case of a one-...

Abstract We use the extension of scaled particle theory (ESPT) presented in the accompanying paper [Stillinger et al. J. Chem. Phys. xxx, xxx (2007)] to calculate numerically pair correlation function of the hard sphere fluid over the density range 0 ≤ ρσ ≤ 0.96. Comparison with computer simulation results reveals that the new theory is able to capture accurately the fluid’s structure across th...

The adsorption of proteins and other large molecules at the liquid-solid interface often involves a surface-induced transition in either internal conformation or molecular orientation. Recently, Van Tassel et al. modeled this adsorption/transition process as the sequential surface placement of spreading disks. In this work, we employ the scaled particle theory (SPT) to derive approximate analyt...

Changes in solvent environment greatly affect macromolecular structure and stability. To investigate the role of excluded volume in solvation, scaled-particle theory is often used to calculate delta G(tr)(ev), the excluded-volume portion of the solute transfer free energy, delta G(tr). The inputs to SPT are the solvent radii and molarities. Real molecules are not spheres. Hence, molecular radii...

Earthquake time history records are required to perform dynamic nonlinear analyses. In order to provide a suitable set of such records, they are scaled to match a target spectrum as introduced in the well-known design codes. Corresponding scaling factors are taken similar in practice however, optimizing them reduces extra-ordinary economic charge for the seismic design. In the present work a ne...

In fundamental-measure theories the bulk excess free-energy density of a hard-sphere fluid mixture is assumed to depend on the partial number densities {ρ(i)} only through the four scaled-particle-theory variables {ξ(α)}, i.e., Φ({ρ(i)})→Φ({ξ(α)}). By imposing consistency conditions, it is proven here that such a dependence must necessarily have the form Φ({ξ(α)})=-ξ(0)ln(1-ξ(3))+Ψ(y)ξ(1)ξ(2)/(...

in this paper, a stochastic cell formation problem is studied using queuing theory framework and considering reliability. since cell formation problem is np-hard, two algorithms based on genetic and modified particle swarm optimization (mpso) algorithms are developed to solve the problem. for generating initial solutions in these algorithms, a new heuristic method is developed, which always cre...