The problem of consistency of equations of state and a new method for their thermodynamic matching

Nikolaev, Pavel

doi:10.3103/s002713491003001x

Cited by 6 publications

(2 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…1, we plot the absolute difference βP/ρ between the compressibility factor calculated within each model and the reference provided by Eq. (11). As it can be observed in this figure, the curve of the RPY model remains smaller than the curves corresponding to the closures PY, RY, and also to Verlet's approximation for φ 0.48.…”

Section: One-component Hard-sphere Liquidmentioning

confidence: 50%

“…1 Otherwise, some of the most successful approaches involve a certain degree of thermodynamic consistency. [4][5][6][7][8][9][10][11] Among them, the closure introduced by Verlet 5 yields accurate values for the RDF even in the case of relatively concentrate systems. 12 This approximation, however, is not especially suitable to describe mixtures of HS.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Thermodynamically consistent closure approximation for hard spheres systems

Carbajal-Tinoco

2012

The Journal of Chemical Physics

View full text Add to dashboard Cite

We present a new closure relation that is an extension of the Percus-Yevick approximation. In the proposed closure, we introduce an additional term and a mixing coefficient that can be determined by imposing a condition of thermodynamic self-consistency. Moreover, the mixing coefficient is calculated analytically within a linear approximation. In the case of a monodisperse system of hard spheres, we compare the results of our model to well-established thermodynamic expressions and also to the structural properties of fairly known closure approximations. In the second case, and using an equivalent scheme, the new closure relation is extended to the depletion potential between two large hard spheres immersed in a liquid of small hard spheres. In both cases, the results of our model are in good agreement with numerical simulations performed at intermediate concentrations.

show abstract

Section: One-component Hard-sphere Liquidmentioning

confidence: 50%

Section: Introductionmentioning

confidence: 99%

Thermodynamically consistent closure approximation for hard spheres systems

Carbajal-Tinoco

2012

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

Stability and particle number fluctuations in a supercritical domain

Nikolaev

2012

Moscow Univ. Phys.

View full text Add to dashboard Cite

The lines of extremes for the second derivatives of the Gibbs potential in the supercritical regions of substances

Nikolaev

2015

Moscow Univ. Phys.

Self Cite

View full text Add to dashboard Cite

A parametric expression for the Gibbs potential was found using the generalized Van Laar method for the free energy of a system. Since this expression is used in order to analyze the behavior of a system in the supercritical region, the well studied system of soft spheres was selected as a reference system. This allows one to find thermodynamic characteristics from known virial coefficients of the system and available information on the position of the critical point. The lines of the extremes for the second derivatives of the Gibbs potential were calculated for a system with the Lennard-Jones interaction potential. The line of the maxima of the iso thermal compressibility and the line of the maxima of the constant pressure heat capacity were compared with the molecular dynamics data. The good agreement between the theoretical calculations, which are based on analytic functions in this domain, and the molecular dynamics data shows the absence of a third order phase transition in the supercritical region.

show abstract

The problem of consistency of equations of state and a new method for their thermodynamic matching

Cited by 6 publications

References 25 publications

Thermodynamically consistent closure approximation for hard spheres systems

Thermodynamically consistent closure approximation for hard spheres systems

Stability and particle number fluctuations in a supercritical domain

The lines of extremes for the second derivatives of the Gibbs potential in the supercritical regions of substances

Contact Info

Product

Resources

About