scholarly journals Third virial coefficients and critical properties of quadrupolar two center Lennard-Jones models

2003 ◽  
Vol 5 (13) ◽  
pp. 2851-2857 ◽  
Author(s):  
L. G. MacDowell ◽  
C. Menduiña ◽  
C. Vega ◽  
E. de Miguel
Keyword(s):  
Virial Coefficients ◽  
Critical Properties ◽  
Lennard Jones

scholarly journals Review and Comparison of Equations of State for the Lennard-Jones Fluid

2021 ◽  
Author(s):  
Simon Stephan ◽  
Jens Staubach ◽  
Hans Hasse
Keyword(s):  
Equations Of State ◽  
Virial Coefficients ◽  
Computer Experiments ◽  
Enthalpy Of Vaporization ◽  
Homogeneous State ◽  
Critical Properties ◽  
Simple Fluids ◽  
Lennard Jones ◽  
Data Points ◽  
Point Of Departure

The Lennard-Jones (LJ) potential is widely used for describing simple fluids; it is also a point of departure for developing models of complex fluids. Thermodynamic properties of the LJ fluid have been studied by molecular simulations by many authors and a critical review of the available data, which comprises about 35,000 data points, has been published recently [J. Chem. Inf. Mod. 59 (2019) 4248–4265]. The importance of the LJ fluid has also triggered the development of a large number of equations of state (EOS). In the present work, 20 LJ EOS were critically assessed by comparing their results with consolidated data from computer experiments. A large variety of thermophysical properties was considered: vapor pressure; saturated densities; enthalpy of vaporization; critical properties; thermal, caloric, and entropic properties at homogeneous state points; and second and third virial coefficients. It was found that none of the available LJ EOS meets the following two criteria: (1) it does not yield unphysical artifacts when used for extrapolations, and (2) it describes data from computer experiments within their statistical uncertainty in most fluid regions. Furthermore, a re-parameterization of the monomer term of the PC-SAFT EOS was carried out by fitting it to data of the LJ fluid. The new LJ EOS yields good results for the LJ fluid, but does not outperform the best existing LJ EOS.

Virial Coefficients of Modified Lennard-Jones Potential

2014 ◽  
Vol 59 (2) ◽  
pp. 172-178 ◽  
Author(s):  
Ushcats M.V. Ushcats M.V. ◽  
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones

Equation of state of a Lennard-Jones 12-6 pairwise additive fluid

1980 ◽  
Vol 45 (4) ◽  
pp. 977-983 ◽  
Author(s):  
Jan Sýs ◽  
Anatol Malijevský
Keyword(s):  
Equation Of State ◽  
Empirical Equation ◽  
The State ◽  
Critical Properties ◽  
Lennard Jones ◽  
State Behaviour ◽  
Compressibility Factors

An empirical equation of state was proposed, which is based on pseudoexperimental data on the state behaviour. The equation can be used at reduced temperatures from the range 0.7-100.0 and reduced densities up to 2. Calculated compressibility factors and critical properties agree well with available literature data.

Virial coefficients of Lennard-Jones mixtures

2009 ◽  
Vol 130 (22) ◽  
pp. 224104 ◽  
Author(s):  
Andrew J. Schultz ◽  
David A. Kofke
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones

On the Virial Coefficients for a Lennard‐Jones Gas

1958 ◽  
Vol 28 (5) ◽  
pp. 874-877 ◽  
Author(s):  
L. H. Nosanow ◽  
J. E. Mayer
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones

Eighth to sixteenth virial coefficients of the Lennard-Jones model

2015 ◽  
Vol 143 (4) ◽  
pp. 044504 ◽  
Author(s):  
Chao Feng ◽  
Andrew J. Schultz ◽  
Vipin Chaudhary ◽  
David A. Kofke
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones ◽  
Jones Model

A reexamination of virial coefficients of the Lennard-Jones fluid

2001 ◽  
Vol 105 (3) ◽  
pp. 244-251 ◽  
Author(s):  
Kippi M. Dyer ◽  
John S. Perkyns ◽  
B. Montgomery Pettitt
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones
Sign in / Sign up

Export Citation Format

Share Document