Journal ArticleDOI
Monte carlo and perturbation theory studies of the equation of state of the two-dimensional Lennard-Jones fluid
Reads0
Chats0
TLDR
In this paper, Monte Carlo values for the equation of state of the two-dimensional Lennard-Jones fluid are reported and a semi-empirical correction term to the second-order Barker-Henderson theory is constructed.Abstract:
Monte Carlo values for the equation of state of the two-dimensional Lennard-Jones fluid are reported. The agreement with previous simulations is good, with the exception of the critical point region. However, the estimates of the critical temperature and density given here are lower than those previously reported. The first and second-order Barker-Henderson and first-order Weeks-Chandler-Andersen perturbation theories are applied to this system and are found to be satisfactory only at high densities. A semiempirical correction term to the second-order Barker-Henderson theory is constructed. The resulting parameterization of the Monte Carlo data is found to be accurate and useful at all densities and temperatures for which the Monte Carlo data exist.read more
Citations
More filters
Journal ArticleDOI
Density fluctuations and field mixing in the critical fluid
Nigel B. Wilding,Alastair Bruce +1 more
TL;DR: In this paper, a finite-size scaling theory was developed to describe the joint density and energy fluctuations in a near-critical fluid, where the energy operator features in the critical density distribution as an antisymmetric correction to the limiting scale-invariant form.
Journal ArticleDOI
Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions
TL;DR: In this article, a detailed study of the thermodynamics of the phase diagram for a two-dimensional system of molecules interacting with Lennard-Jones 6:12 potentials, which is a prototype for physisorbed systems, is presented.
Journal ArticleDOI
Vapor-liquid equilibria of the two-dimensional Lennard-Jones fluid(s)
Berend Smit,Daan Frenkel +1 more
TL;DR: In this paper, Monte Carlo simulations of the Gibbs ensemble for the full Lennard-Jones potential and the truncated (at 2.5σ) and shifted potential are presented.
Journal ArticleDOI
The gas-liquid transition of the two-dimensional Lennard-Jones fluid
TL;DR: In this paper, Monte Carlo simulations of two-dimensional fluids with a truncated Lennard-Jones interaction in the NVT ensemble are analyzed with a block density distribution technique, for N=256 and N=576 particles.
Journal ArticleDOI
The phases of two-dimensional matter, their transitions, and solid-state stability: A perspective via computer simulation of simple atomic systems
TL;DR: In this article, an extensive computer simulation investigation of the structure, thermodynamics and phase stability of the two-dimensional Lennard-Jones system is presented, with special emphasis on the low-pressure melting regime of the phase diagram.
References
More filters
Journal ArticleDOI
Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids
TL;DR: In this paper, the Fourier transform of the pair correlation function is used to calculate the structure factor of a reference system in which the intermolecular forces are entirely repulsive and identical to the repulsive forces in a Lennard-Jones fluid.
Journal ArticleDOI
Analysis of Classical Statistical Mechanics by Means of Collective Coordinates
TL;DR: In this paper, the three-dimensional classical many-body system is approximated by the use of collective coordinates, through the assumed knowledge of two-body correlation functions, and a self-consistent formulation is available for determining the correlation function.
Journal ArticleDOI
Perturbation Theory and Equation of State for Fluids: The Square‐Well Potential
J. A. Barker,D. Henderson +1 more
TL;DR: In this paper, the equation of state for a fluid of molecules interacting according to the square-well potential is evaluated by treating the attractive potential as a perturbation on the hard-sphere potential.
Journal ArticleDOI
Phase Transition in Elastic Disks
Berni J. Alder,T. E. Wainwright +1 more
TL;DR: In this paper, the authors studied a two-dimensional system consisting of 870 hard disk particles in the phase transition region and showed that the isotherm has a van der Waals-like loop.
Journal ArticleDOI
Fifth and Sixth Virial Coefficients for Hard Spheres and Hard Disks
Francis H. Ree,William G. Hoover +1 more
TL;DR: In this paper, the modified stars contain both Mayer f functions and f functions (f≡f+1) and it is shown that the number of topologically distinguishable graphs occurring in the new expressions is about half the number required in previous expressions.