Journal ArticleDOI
An equation of state for lennard-jones pure fluids applicable over a very wide temperature range
TLDR
In this article, Monte Carlo simulations of the compressibility factor and internal energy of a Lennard-Jones fluid are reported for 112 state conditions over the density range 0.2⩽ π★ ⩽ 1.1.About:
This article is published in Fluid Phase Equilibria.The article was published on 1993-05-15. It has received 17 citations till now. The article focuses on the topics: Equation of state & Compressibility factor.read more
Citations
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Journal ArticleDOI
Equation of State for the Lennard-Jones Fluid
TL;DR: In this article, an empirical equation of state correlation is proposed for the Lennard-Jones model fluid based on a large molecular simulation data set and thermal virial coefficients, which is valid for temperatures 0.5 < T/Tc < 7 and pressures up to p/pc = 500.
Journal ArticleDOI
An accurate Van der Waals-type equation of state for the Lennard-Jones fluid
TL;DR: In this article, a new equation of state (EOS) is proposed for the Helmholtz energy of the Lennard Jones fluid which represents the thermodynamic properties over a wide range of temperatures and densities.
Journal ArticleDOI
Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment.
TL;DR: Literature data on the thermophysical properties of the Lennard-Jones fluid, which were sampled with molecular dynamics and Monte Carlo simulations, were reviewed and assessed and included in a database, which is made available in the Supporting Information.
Journal ArticleDOI
An equation of state for real fluids based on the lennard-jones potential
Tongfan Sun,Amyn S. Teja +1 more
TL;DR: In this article, a new set of constants for the modified Benedict−Webb−Rubin (MBWR) equation based on the Lennard-Jones (LJ) potential were obtained in the temperature range T* = 045 to T * = 60 by supplementing computer simulation data with data obtained by recalculating the first five virial coefficients of the LJ potential.
Journal ArticleDOI
Review and Comparison of Equations of State for the Lennard-Jones Fluid
TL;DR: In this paper, 20 LJ EOS were evaluated by comparing their results with consolidated data from computer experiments, and a reparameterization of the monomer term of the PC-SAFT EOS was carried out by fitting it to data of the LJ fluid.
References
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Journal ArticleDOI
Equation of state calculations by fast computing machines
TL;DR: In this article, a modified Monte Carlo integration over configuration space is used to investigate the properties of a two-dimensional rigid-sphere system with a set of interacting individual molecules, and the results are compared to free volume equations of state and a four-term virial coefficient expansion.
Journal ArticleDOI
A 2dvEv- bit distributed algorithm for the directed Euler trail problem
Wen-Huei Chen,Chuan Yi Tang +1 more
TL;DR: The algorithm can be used as a building block for solving other distributed graph problems, and can be slightly modified to run on a strongly-connected diagraph for generating the existent Euler trail or to report that no Euler trails exist.
Journal ArticleDOI
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
TL;DR: In this article, the equilibrium properties of a system of 864 particles interacting through a Lennard-Jones potential have been integrated for various values of the temperature and density, relative, generally, to a fluid state.
Journal ArticleDOI
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble
TL;DR: In this article, a methodology is presented for Monte Carlo simulation of fluids in a new ensemble that can be used to obtain phase coexistence properties of multicomponent systems from a single computer experiment.
Journal ArticleDOI
Phase Transitions of the Lennard-Jones System
Jean-Pierre Hansen,Loup Verlet +1 more
TL;DR: In this paper, Monte Carlo computations have been performed in order to determine the phase transitions of a system of particles interacting through a Lennard-Jones potential, and an indirect determination of the phase transition of the hard-sphere gas is made which is essentially in agreement with the results of more direct calculations.
Related Papers (5)
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Equation of state for the Lennard-Jones fluid
The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state
Jiří Kolafa,Ivo Nezbeda +1 more