A square-well model for the structural and thermodynamic properties of simple colloidal systems

A model for the radial distribution function $g(r)$ of a square-well fluid of variable width previously proposed [S. B. Yuste and A. Santos, J. Chem. Phys. {\bf 101}, 2355 (1994)] is revisited and simplified. The model provides an explicit expression for the Laplace transform of $rg(r)$, the coefficients being given as explicit functions of the density, the temperature, and the interaction range. In the limits corresponding to hard spheres and sticky hard spheres the model reduces to the analytical solutions of the Percus-Yevick equation for those potentials. The results can be useful to describe in a fully analytical way the structural and thermodynamic behavior of colloidal suspensions modeled as hard-core particles with a short-range attraction. Comparison with computer simulation data shows a general good agreement, even for relatively wide wells.Comment: 23 pages, 10 figures; Figs. 4 and 5 changed, Fig. 6 new; to be published in J. Chem. Phy

On a correlation among azimuthal velocities and the flyby anomaly sign

Data of six flybys, those of Galileo I, Galileo II, NEAR, Cassini, Rosetta and Messenger were reported by Anderson et al \citep{Anderson}. Four of them: Galileo I, NEAR, Rosetta and Messenger gain Newtonian energy during the flyby transfer, while Galileo II and Cassini lose energy. This is, in both cases, a surprising anomaly since Newtonian forces derive from a potential and they are, therefore, conservative. We show here that the gravitational field of a rotating planet as derived from a new model introduces a non conservative force that gives a partial, but in our opinion satisfactory, explanation of these anomalies and suggests a correlation between the sign of the anomaly and the sign of the azimuthal velocity at perigee.Comment: 12 pages, 3 figure

Heat capacity of square-well fluids of variable width

We have obtained by Monte Carlo NVT simulations the constant-volume excess heat capacity of square-well fluids for several temperatures, densities and potential widths. Heat capacity is a thermodynamic property much more sensitive to the accuracy of a theory than other thermodynamic quantities, such as the compressibility factor. This is illustrated by comparing the reported simulation data for the heat capacity with the theoretical predictions given by the Barker-Henderson perturbation theory as well as with those given by a non-perturbative theoretical model based on Baxter's solution of the Percus-Yevick integral equation for sticky hard spheres. Both theories give accurate predictions for the equation of state. By contrast, it is found that the Barker-Henderson theory strongly underestimates the excess heat capacity for low to moderate temperatures, whereas a much better agreement between theory and simulation is achieved with the non-perturbative theoretical model, particularly for small well widths, although the accuracy of the latter worsens for high densities and low temperatures, as the well width increases.Comment: 11 pages, 4 figures; figures now include additional perturbation data; to be published in Mol. Phy

On an explicit finite difference method for fractional diffusion equations

A numerical method to solve the fractional diffusion equation, which could also be easily extended to many other fractional dynamics equations, is considered. These fractional equations have been proposed in order to describe anomalous transport characterized by non-Markovian kinetics and the breakdown of Fick's law. In this paper we combine the forward time centered space (FTCS) method, well known for the numerical integration of ordinary diffusion equations, with the Grunwald-Letnikov definition of the fractional derivative operator to obtain an explicit fractional FTCS scheme for solving the fractional diffusion equation. The resulting method is amenable to a stability analysis a la von Neumann. We show that the analytical stability bounds are in excellent agreement with numerical tests. Comparison between exact analytical solutions and numerical predictions are made.Comment: 22 pages, 6 figure

Survival probability and order statistics of diffusion on disordered media

We investigate the first passage time t_{j,N} to a given chemical or Euclidean distance of the first j of a set of N>>1 independent random walkers all initially placed on a site of a disordered medium. To solve this order-statistics problem we assume that, for short times, the survival probability (the probability that a single random walker is not absorbed by a hyperspherical surface during some time interval) decays for disordered media in the same way as for Euclidean and some class of deterministic fractal lattices. This conjecture is checked by simulation on the incipient percolation aggregate embedded in two dimensions. Arbitrary moments of t_{j,N} are expressed in terms of an asymptotic series in powers of 1/ln N which is formally identical to those found for Euclidean and (some class of) deterministic fractal lattices. The agreement of the asymptotic expressions with simulation results for the two-dimensional percolation aggregate is good when the boundary is defined in terms of the chemical distance. The agreement worsens slightly when the Euclidean distance is used.Comment: 8 pages including 9 figure