## 17 Citations

Characteristic Curves of the Lennard-Jones Fluid

- ChemistryInternational journal of thermophysics
- 2020

Physically based, empirical, and semi-theoretical LJ EOS were examined regarding their performance on Brown’s characteristic curves and characteristic state points and the second and third virial coefficient of the LJ fluid was investigated.

Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment

- ChemistryJ. Chem. Inf. Model.
- 2019

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.

The Line of Ideal Isothermal Compressibility.

- PhysicsThe journal of physical chemistry. B
- 2022

We have considered the line along which the values of the isothermal compressibility of a system are the same as they would be for an ideal gas. It was called the κT line. Various substances and…

Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures

- Chemistry
- 2019

The influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of six binary Lennard-Jones (LJ) mixtures was studied by molecular dynamics (MD)…

A revisit of the density gradient theory and the mean field theory for the vapor-liquid interface system

- Physics
- 2021

In this work we define a mean-field crossover generated by the Maxwell construction as the dividing interface for the vapor-liquid interface area. A highly accurate density-profile equation is thus…

Selected water thermal properties from molecular dynamics for engineering purposes

- Engineering, Chemistry
- 2020

Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study

- Chemistry, Physics
- 2020

ABSTRACT A quasi-stationary molecular dynamics simulation method for studying mass transfer through vapour–liquid interfaces of mixtures driven by gradients of the chemical potential based on the…

Reproducibility of atomistic friction computer experiments: a molecular dynamics simulation study

- EngineeringMolecular Simulation
- 2021

ABSTRACT The elementary processes of friction in contact processes of two solid bodies occur on the nanoscale and are difficult to study experimentally. Therefore, molecular dynamics simulations are…

The mean-field dividing interface is united with the Widom line

- Physics
- 2021

We define a mean-field crossover generated by the Maxwell construction as the dividing interface for the vaporliquid interface area and a highly accurate density-profile equation is thus derived. By…

Evaluation of numerous J-, K-, L-, M-, and N-integrals used in perturbation theory

- MathematicsMolecular Physics
- 2021

Following Barker, Pople and Gubbins & Gray, the u-expansion of the perturbation theory, used for developing equations of state for fluids, requires sets of J-, K-, L-, M-, and N-integrals as a…

## References

SHOWING 1-10 OF 218 REFERENCES

Generalized equation of state for Lennard-Jones fluids—I. Pure fluids and simple mixtures

- Chemistry
- 1988

Fluid properties from equations of state compared with direct molecular simulations for the Lennard-Jones system

- Chemistry
- 2012

Evaluation of the fluid properties obtained from thermodynamic derivatives is a critical test for any equation of state, especially in the vicinity of the critical point. This is a state region of…

Characteristic Curves of the Lennard-Jones Fluid

- ChemistryInternational journal of thermophysics
- 2020

Physically based, empirical, and semi-theoretical LJ EOS were examined regarding their performance on Brown’s characteristic curves and characteristic state points and the second and third virial coefficient of the LJ fluid was investigated.

A simple equation of state for the Lennard-Jones fluid: A new reference term for equations of state and perturbation theories

- Chemistry
- 1992

An accurate Van der Waals-type equation of state for the Lennard-Jones fluid

- Chemistry
- 1996

A new equation of state (EOS) is proposed for the Helmholtz energyF of the Lennard Jones fluid which represents the thermodynamic properties over a wide range of temperatures and densities. The EOS…

AN EQUATION OF STATE FOR REAL FLUIDS BASED ON THE LENNARD-JONES POTENTIAL

- Chemistry
- 1996

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* = 0.45 to T* = 6.0 by supplementing…

The Lennard-Jones Fluid in the Liquid-Vapour Critical Region

- Physics
- 2015

The equation of state of the Lennard-Jones (LJ) fluid in the liquid-vapour (LV) critical region is investigated by Molecular Dynamics simulation (MD). The calculated pressure (P ) and chemical…

The Lennard-Jones equation of state revisited

- Chemistry
- 1993

We review the existing simulation data and equations of state for the Lennard-Jones (LJ) fluid, and present new simulation results for both the cut and shifted and the full LJ potential. New…

Statistical substantiation of the van der Waals theory of inhomogeneous fluids.

- PhysicsPhysical review. E, Statistical, nonlinear, and soft matter physics
- 2002

It is shown that taking into account terms proportional to (nablarho)(4) leaves no way of obtaining agreement between the theory and simulation data, while taking into consideration of terms proportionately to ( nablar Ho)(6) makes it possible to describe with adequate accuracy all the properties of a flat interface in the temperature range from the triple to the critical point.