Simulation‐based equations of state for the Lennard‐Jones fluid: Apparent success and hidden failure

AIChE Journal ◽  
2020 ◽  
Vol 66 (7) ◽  
Author(s):  
Nayef M. Alsaifi
Keyword(s):  
Equations Of State ◽  
Lennard Jones ◽  
Simulation Based ◽  
Hidden Failure

scholarly journals Anharmonic Self-Consistent Theory of Crystals. II. The 2d and 3d Quartic Crystal Models

1994 ◽  
Vol 49 (6) ◽  
pp. 663-670
Author(s):  
S. Sh. Soulayman ◽  
C. Ch. Marti ◽  
Ch. Ch. Guilpin
Keyword(s):  
Helmholtz Free Energy ◽  
Equations Of State ◽  
Three Dimensional ◽  
Inert Gases ◽  
Thermoelastic Properties ◽  
Consistent Theory ◽  
Jones Potential ◽  
Lennard Jones ◽  
2D And 3D ◽  
Strong Anharmonicity

Abstract In this paper we apply the method developed in part I for describing the crystalline state of two and three dimensional inert gases. For strong anharmonicity of fourth order, the equations of state of these gases are obtained. This way we calculate the thermoelastic properties of two and three dimensional argon, krypton and xenon using the Lennard-Jones potential. The corrections to the Helmholtz free energy and thermodynamic properties due to quantum effects are considered. The results are compared with the available experimental data.

Investigation and improvement of equations of state for Lennard-Jones fluid

1997 ◽  
Vol 127 (1-2) ◽  
pp. 71-81 ◽  
Author(s):  
Li Chunxi ◽  
Li Yigui ◽  
Lu Jiufang
Keyword(s):  
Equations Of State ◽  
Lennard Jones

Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state

1994 ◽  
Vol 94 ◽  
pp. 1-18 ◽  
Author(s):  
Vassilis I. Harismiadis ◽  
Athanassios Z. Panagiotopoulos ◽  
Dimitrios P. Tassios
Keyword(s):  
Phase Equilibria ◽  
Equations Of State ◽  
Lennard Jones
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