相关论文: A square-well model for the structural and thermod…
Two related approaches, one fairly recent [A. Trokhymchuk et al., J. Chem. Phys. 123, 024501 (2005)] and the other one introduced fifteen years ago [S. B. Yuste and A. Santos, Phys. Rev. A 43, 5418 (1991)], for the derivation of analytical…
In this work, we have calculated self-diffusion and shear viscosity, two of the most important transport properties, of the spherical square-well (SW) fluid interacting with potential range $\lambda = 1.5 \, \sigma$. To this end, we have…
We study a system formed by soft colloidal spheres attracting each other via a square-well potential, using extensive Monte Carlo simulations of various nature. The softness is implemented through a reduction of the infinite part of the…
The new mathematical framework based on the free energy of pure classical fluids presented in [R. D. Rohrmann, Physica A 347, 221 (2005)] is extended to multi-component systems to determine thermodynamic and structural properties of…
Determining the microstructure of colloidal suspensions under shear flows has been a challenge for theoretical and computational methods due to the singularly-perturbed boundary-layer nature of the problem. Previous approaches have been…
The structural properties of square-shoulder fluids are derived from the use of the rational function approximation method. The computation of both the radial distribution function and the static structure factor involves mostly analytical…
The continuity conditions of the radial distribution function g(r) and its close relative the cavity function y(r) are studied in the context of the Percus-Yevick (PY) integral equation for 3D square-well fluids. The cases corresponding to…
A comparison of simulation results with the prediction of the structural properties of square-shoulder fluids is carried out to assess the performance of three theories: Tang--Lu's first-order mean spherical approximation, the simplified…
We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Penetrability of the spheres is enforced by reducing from infinite to…
The properties of one-dimensional liquids are studied for several interaction potentials for which, under certain assumptions, the properties of the system admit an analytical solution. The studied potentials are the triangle-well and the…
This study investigates the (longitudinal) thermodynamic and structural characteristics of single-file confined square-well and square-shoulder disks by employing a mapping technique that transforms the original system into a…
A recently proposed schematic model for the non--linear rheology of dense colloidal dispersions is compared to flow curves measured in suspensions that consist of thermosensitive particles. The volume fraction of this purely repulsive model…
We study a simple stochastic differential equation that models the dispersion of close heavy particles moving in a turbulent flow. In one and two dimensions, the model is closely related to the one-dimensional stationary Schroedinger…
The coupling parameter expansion in thermodynamic perturbation theory of simple fluids is generalized to include the derivatives of bridge function. We applied seventh order version of the theory to Square-Well (SW) and Lennard-Jones (LJ)…
We introduce a simple spherical model whose structural properties are similar to the ones generated by models with directional interactions, by employing a binary mixture of large and small hard spheres, with a square-well attraction acting…
We present a coarse-grained lattice model of solvation thermodynamics and the hydrophobic effect that implements the ideas of Lum-Chandler-Weeks (LCW) theory [J. Phys. Chem. B 103, 4570 (1999)] and improves upon previous lattice models…
We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For small delta, the reduced second virial coefficient at the…
A new approach to thermodynamics of simple fluids is presented. The partition function is first expressed in the reciprocal space, it is argued that the links (p,q) between 2 molecules can reasonably in the thermodynamical limit be…
Accurate descriptions of reference systems are a central task in liquid-state theories for the study of more complex systems. Using scaled particle theory (SPT), we derive a fully analytical description of the thermodynamic properties of a…
These lecture notes present an overview of equilibrium statistical mechanics of classical fluids, with special applications to the structural and thermodynamic properties of systems made of particles interacting via the hard-sphere…