TY - JOUR
T1 - Monte Carlo simulations of binary Lennard-Jones mixtures
T2 - A test of the van der Waals one-fluid model
AU - Meier, Kevin
AU - Tillner-Roth, R.
AU - Kabelac, S.
AU - Edwards, T. J.
N1 - Funding Information:
Karsten Meier was financially supported by a fellowship of the German Academic Exchange Service DAAD during his stay at Murdoch University in Perth (Australia), where a part of this research was carried out and the manuscript was written. Supercomputing time was provided by the Regionales Rechenzentrum fur Niedersachsen (RRZN) at the Univer-sitat Hannover (Germany) and by the Supercomputing Facility at the Australian National University in Canberra (Australia).
Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 1998/5
Y1 - 1998/5
N2 - Monte Carlo simulations in the canonical ensemble have been performed in the liquid and supercritical regions of a binary Lennard-Jones mixture with differences in size parameters of 6.4% and energy parameters of 37%. The results are compared with a recent fundamental equation of state employing the van der Waals one-fluid model and new simulation data at the corresponding state conditions of the pure Lennard-Jones fluid. The van der Waals one-fluid model describes the mixture properties well at high densities, while at low densities the predicted internal energies and isochoric heat capacities are too low.
AB - Monte Carlo simulations in the canonical ensemble have been performed in the liquid and supercritical regions of a binary Lennard-Jones mixture with differences in size parameters of 6.4% and energy parameters of 37%. The results are compared with a recent fundamental equation of state employing the van der Waals one-fluid model and new simulation data at the corresponding state conditions of the pure Lennard-Jones fluid. The van der Waals one-fluid model describes the mixture properties well at high densities, while at low densities the predicted internal energies and isochoric heat capacities are too low.
KW - Heat capacity
KW - Internal energy
KW - Lennard-Jones mixture
KW - Monte Carlo simulation
KW - Van der Waals one-fluid model
UR - https://www.scopus.com/pages/publications/0032058433
U2 - 10.1023/A:1022614200488
DO - 10.1023/A:1022614200488
M3 - Article
AN - SCOPUS:0032058433
SN - 0195-928X
VL - 19
SP - 687
EP - 696
JO - International Journal of Thermophysics
JF - International Journal of Thermophysics
IS - 3 SPEC.ISS.
ER -