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

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.

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Equation of state calculations and Monte Carlo simulations of internal energies, compressibility factors and vapor-liquid equilibria for Lennard-Jones fluid mixtures

Fluid Phase Equilibria ◽

10.1016/0378-3812(94)80057-x ◽

1994 ◽

Vol 95 ◽

pp. 1-13 ◽

Cited By ~ 6

Author(s):

Yoshimori Miyano

Keyword(s):

Monte Carlo ◽

Equation Of State ◽

Monte Carlo Simulations ◽

Fluid Mixtures ◽

Lennard Jones ◽

Vapor Liquid Equilibria ◽

Compressibility Factors ◽

Vapor Liquid

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Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics

Molecular Physics ◽

10.1080/00268976.2018.1447153 ◽

2018 ◽

Vol 116 (15-16) ◽

pp. 2083-2094 ◽

Cited By ~ 25

Author(s):

Michaela Heier ◽

Simon Stephan ◽

Jinlu Liu ◽

Walter G. Chapman ◽

Hans Hasse ◽

...

Keyword(s):

Perturbation Theory ◽

Equation Of State ◽

Lennard Jones ◽

Interfacial Thermodynamics

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Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases

The Journal of Chemical Physics ◽

10.1063/1.5053714 ◽

2018 ◽

Vol 149 (20) ◽

pp. 204508 ◽

Cited By ~ 14

Author(s):

Andrew J. Schultz ◽

David A. Kofke

Keyword(s):

Equation Of State ◽

Low Temperature ◽

High Precision ◽

High Accuracy ◽

Lennard Jones ◽

Fluid Phases

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The Perturbed-Soft-Chain Theory: an equation of state based on the Lennard-Jones potential

Fluid Phase Equilibria ◽

10.1016/0378-3812(87)85031-8 ◽

1987 ◽

Vol 32 (2) ◽

pp. 103-115 ◽

Cited By ~ 30

Author(s):

William O. Morris ◽

P. Vimalchand ◽

Marc D. Donohue

Keyword(s):

Equation Of State ◽

Lennard Jones Potential ◽

Jones Potential ◽

Lennard Jones ◽

Chain Theory

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Analytical equation of state for Lennard–Jones mixtures

Fluid Phase Equilibria ◽

10.1016/s0378-3812(98)00210-6 ◽

1998 ◽

Vol 146 (1-2) ◽

pp. 73-92 ◽

Cited By ~ 19

Author(s):

Yiping Tang ◽

Benjamin C.-Y. Lu

Keyword(s):

Equation Of State ◽

Analytical Equation ◽

Lennard Jones

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Изменение термодинамических свойств при изохорическом и изобарическом уменьшении размера нанокристалла кремния

Физика твердого тела ◽

10.21883/ftt.2019.04.47426.267 ◽

2019 ◽

Vol 61 (4) ◽

pp. 757

Author(s):

М.Н. Магомедов

Keyword(s):

Equation Of State ◽

Surface Properties ◽

Surface Pressure ◽

Interatomic Potential ◽

Intersection Point ◽

Relative Volume ◽

Optimal Shape ◽

Method Of Calculation ◽

Lennard Jones ◽

Crystal Properties

AbstractEquation of state P (ν/ν_o) and the baric dependences of the lattice and surface properties of silicon macro- and nanocrystals have been calculated using the method of calculation of crystal properties from the pair Mie–Lennard-Jones interatomic potential and the RP-model of nanocrystal. The isothermal dependences of P (ν/ν_o) for the macro- and the nanocrystal are shown to be intersected at a certain value of relative volume (ν/ν_o)_0. The surface pressure becomes zero at the intersection point (at (ν/ν_o)_0). The value of (ν/ν_o)_0 decreases upon isomorphic–isomeric increase in temperature and also at isomorphic–isothermic decrease in the number of atoms N in the nanocrystal, or at isomeric–isothermic deviation of the nanocrystal shape from the most energetically optimal shape (in the RP-model, this shape is a cube). The obtained equation of state is used to study the changes of the silicon properties at isochoric (ν/ν_o = 1) and also isobaric ( P = 0) decrease in N at temperatures 300 and 1000 K.

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