A new concept for augmented van der Waals equations of state

Nezbeda, Ivó; Melnyk, Roman; Trokhymchuk, Andrij

doi:10.1016/j.supflu.2010.10.041

Cited by 15 publications

(17 citation statements)

References 24 publications

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“…Recently, it has been shown that the thermodynamics as well as the vapour-liquid equilibrium in the LJ-like HCAY fluid can be rather accurately described within the augmented van der Waals theory [29,30]. In particular, within this theory, the EOS of the LJ-like HCAY model fluid reads, p = p 0 − ρ 2 a, (2.1) where, similar to the original van der Waals suggestion, coefficient a is related to the contribution from the attractive interaction energy between molecules, while pressure p 0 stands for the pressure due to the excluded volume energy.…”

Section: Augmented Van Der Waals Theorymentioning

confidence: 99%

“…As the first step to comply with this idea, let us follow the suggestion [29,30] and present the pair interaction energy u(r ) in the form,…”

Section: Augmented Van Der Waals Theorymentioning

confidence: 99%

“…By using the LJ-like HCAY model fluid as a pilot system, the purpose of this exploratory study is to show that even in the case of the truncated virial EOS, the performance of the latter in the wide range of density and temperature conditions, including the subcritical ones, can be substantially improved by implementing the ideas that were elaborated within the framework of the augmented van der Waals theory [29,30]. These ideas concern the issue of a split of the total interaction potential u(r ) into two terms.…”

Section: Introductionmentioning

confidence: 99%

“…The remainder of this paper is organized as follows: in section 2, we provide an overview of the augmented van der Waals theory [29,30]. In section 3, we discuss how the ideas of this theory can be implemented within the virial expansion approach and we present the corresponding results for the LJ-like HCAY fluid in section 4.…”

Section: Introductionmentioning

confidence: 99%

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Virial expansions and augmented van der Waals approach: Application to Lennard-Jones-like Yukawa fluid

Trokhymchuk¹,

Melnyk²,

Nezbeda³

2015

Condens. Matter Phys.

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We argue that recently proposed [Melnyk et al., Fluid Phase Equilibr., 2009, 279, 1] a criterion to split the pair interaction energy into two parts, one of which is forced to be responsible the most accurate as possible for excluded volume energy in the system, results in expressions for the virial coefficients that improve the performance of the virial equation of state in general, and at subcritical temperatures, in particular. As an example, application to the Lennard-Jones-like hard-core attractive Yukawa fluid is discussed.

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Section: Augmented Van Der Waals Theorymentioning

confidence: 99%

“…As the first step to comply with this idea, let us follow the suggestion [29,30] and present the pair interaction energy u(r ) in the form,…”

Section: Augmented Van Der Waals Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Virial expansions and augmented van der Waals approach: Application to Lennard-Jones-like Yukawa fluid

Trokhymchuk¹,

Melnyk²,

Nezbeda³

2015

Condens. Matter Phys.

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“…Together with the integral equation theory of static structure of liquids and computer simulations, it is the basis of current exploration of physics and chemistry of real liquid systems. Modern versions of TDPT [5,6] were recently developed on the basis of treatment of the interaction interatomic potential as a sum of an improved reference system (hard-sphere-or soft-sphere-like repulsion plus short-range Yukawa-like attraction) and a perturbation due to the remaining tail of the interparticle interaction.…”

Section: Introductionmentioning

confidence: 99%

Heat capacity of liquids: A hydrodynamic approach

Bryk¹,

Scopigno²,

Ruocco³

2015

Condens. Matter Phys.

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We study autocorrelation functions of energy, heat and entropy densities obtained by molecular dynamics simulations of supercritical Ar and compare them with the predictions of the hydrodynamic theory. It is shown that the predicted by the hydrodynamic theory single-exponential shape of the entropy density autocorrelation functions is perfectly reproduced for small wave numbers by the molecular dynamics simulations and permits the calculation of the wavenumber-dependent specific heat at constant pressure. The estimated wavenumberdependent specific heats at constant volume and pressure, C v (k) and C p (k), are shown to be in the longwavelength limit in good agreement with the macroscopic experimental values of C v and C p for the studied thermodynamic points of supercritical Ar.

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