Modified Lennard-Jones model: Virial coefficients to the 7th order

Ushcats, M. V.

doi:10.1063/1.4882896

Cited by 18 publications

(14 citation statements)

References 28 publications

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“…A great number of computations have been performed on the basis of Eq. (8) for various interaction models [for the Morse, Lennard-Jones, modified Lennard-Jones models, the truncated sets of known irreducible integrals [20,21,22,23,24] as well as the sets approximated to infinite orders [14,23,28] have been used to calculate the corresponding constant values of reducible integrals b 0 n , see Eq. The results of such computations are qualitatively similar: on all the isotherms of Eq.…”

Section: Results Of Computations and Discussionmentioning

confidence: 99%

“…There is a great experience accumulated for calculating irreducible integrals (i.e., virial coefficients) [17,18,19] for various interaction models [20,21,22,23,24], and their volume-dependence would technically be much simpler to explore and apply. Nevertheless, the right choice should be reducible cluster integrals that are rare used by researchers in comparison with irreducible ones, and the other option would be incorrect unfortunately.…”

Section: Choice Of Integrals To Regard For the Volume-dependencementioning

confidence: 99%

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Equation of state for all regimes of a fluid: From gas to liquid

Ushcats

Bulavin

et al. 2018

Phys. Rev. E

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The study of Mayer's cluster expansion (CE) for the partition function demonstrates a possible way to resolve the problem of the CE non-physical behavior at condensed states of fluids. In particular, a general equation of state is derived for finite closed systems of interacting particles, where the pressure is expressed directly in terms of the density (or system volume) and temperature-volume dependent reducible cluster integrals. Although its accuracy is now greatly affected by the limited character of the existing data on the reducible cluster integrals and, especially, the absence of any information on their density dependence, a number of simple approximations indicate the qualitative adequacy of this equation in various regimes of a fluid: from gaseous to liquid states (including the transition region).

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Section: Results Of Computations and Discussionmentioning

confidence: 99%

Section: Choice Of Integrals To Regard For the Volume-dependencementioning

confidence: 99%

Equation of state for all regimes of a fluid: From gas to liquid

Ushcats

Bulavin

et al. 2018

Phys. Rev. E

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“…The latter describes the behavior of systems at the thermodynamic boundary. Nevertheless, the consideration of higher viral coefficients causes problems in displaying the liquid branch of the phase diagram [3]. Another well-known approach to describe the phase behavior of fluids is the theory of integral equations.…”

Section: Introductionmentioning

confidence: 99%

Phase Behavior of a Cell Fluid Model with Modified Morse Potential

Kozlovskii

Dobush

2020

Ukr. J. Phys.

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The present article gives a theoretical description of a first-order phase transition in the cell fluid model with a modified Morse potential and an additional repulsive interaction. In the framework of the grand canonical ensemble, the equation of state of the system in terms of chemical potential–temperature and terms of density–temperature is calculated for a wide range of the density and temperature. The behavior of the chemical potential as a function of the temperature and density is investigated. The maximum and minimum admissible values of the chemical potential, which approach each other with decreasing the temperature, are exhibited. The existence of a liquid-gas phase transition in a limited temperature range below the critical Tc is established.

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“…There is a rather considerable experience in calculating such irreducible integrals { }, i.e. the virial coefficients, for a variety of intermolecular interaction models [6][7][8][9][10][11][12][13][14]. However, modern researches [3,[15][16][17][18] testify that, at subcritical temperatures, the limit of applicability of VEOS (1) is a point, where the isothermal bulk modulus of the system vanishes, i.e.…”

Section: Introductionmentioning

confidence: 99%

Lattice Gas Condensation and its Relation to the Divergence of Virial Expansions in the Powers of Activity

Ushcats¹,

Bulavin²,

Sysoev³

et al. 2017

Ukr. J. Phys.

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An efficient algorithm for the calculation of high-order reducible cluster integrals on the basis of irreducible integrals (virial coefficients) has been proposed. The algorithm is applied to study the behavior of the well-known virial expansions of the pressure and density in power series of activity up to very high-order terms, as well as recently derived symmetric power expansions in the reciprocal activity, in the framework of a specific lattice gas model. Our results are consistent with those obtained in other modern studies of the partition function in terms of the density. They disclose the physical meaning of the divergence that the mentioned expansions demonstrate in the condensation region. K e y w o r d s: lattice gas, virial coefficients, reducible cluster integrals, activity, equation of state, condensation.

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Modified Lennard-Jones model: Virial coefficients to the 7th order

Cited by 18 publications

References 28 publications

Equation of state for all regimes of a fluid: From gas to liquid

Equation of state for all regimes of a fluid: From gas to liquid

Phase Behavior of a Cell Fluid Model with Modified Morse Potential

Lattice Gas Condensation and its Relation to the Divergence of Virial Expansions in the Powers of Activity

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