On the effects of association in the statistical theory of ionic systems. Analytic solution of the PY-MSA version of the Wertheim theory

Holovko, M.; Kalyuzhnyi, Yu. V.

doi:10.1080/00268979100101831

Cited by 128 publications

(91 citation statements)

References 21 publications

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“…The numerical solution of AHNC for 2-2 aqueous electrolyte solution was obtained in [3]. The different version of analytical solution AMSA for ionic systems is done in [8][9][10]27]. It was shown that AHNC and AMSA essentially improve ordinary HNC and MSA.…”

Section: Two-density Approaches: the Application To Ionic Systemsmentioning

confidence: 99%

“…Moreover the summation of the infinite series in (8) leads to the possibility of the self-assembling in the system. In approximation b n ≈ b n−1 2 the expansions (8) reduce to the following form…”

Section: Introductionmentioning

confidence: 99%

“…Considering this, it might be expected that a theory which combines the activity and density expansions would be advantageous. The second and higher terms in the expansion (8) can be interpreted as the dimers density ρ 1 = b 2 Z 2 ,..., n-mers density ρ n−1 = b n Z n correspondly. Such interpretation suggests the possibility of the description of clusterization by introducing the multi-density formalism for this purpose.…”

Section: Introductionmentioning

confidence: 99%

“…The multi-density formalism was reformulated in order to treat the effects of clusterization in fluids with spherically symmetric attraction and it was applied for ionic systems [3,[7][8][9][10][11][12][13]. The multi-density integral equation approach was used to describe the chain [14][15][16] and network [17] formation fluids, molecular and macromolecular liquids [18], the fluids with the multi-arm star polymerization [19] etc.…”

Section: Introductionmentioning

confidence: 99%

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The Multi-Density Integral Equation Approach in the Theory of Complex Liquids

Holovko¹

1999

Condens. Matter Phys.

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Recent development of the multi-density integral equation approach and its application to the statistical mechanical modelling of a different type of association and clusterization in liquids are reviewed. The effects of pairing, polymerization, solvation, formation of the network bonds and selfassembling are discussed. The numerical and analytical solutions of the integral equations in the multi-density formalism are used for the description of the association phenomena in the electrolyte and polyelectrolyte solutions, water, polymers, microemulsions and other fluids. The application of the multi-density integral equation approach for the treatment of the percolation phenomena, the adsorption of fluids in porous media and the description of electronic structure of associative fluids are illustrated.

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Section: Two-density Approaches: the Application To Ionic Systemsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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The Multi-Density Integral Equation Approach in the Theory of Complex Liquids

Holovko¹

1999

Condens. Matter Phys.

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“…18 Typically, the model is represented by hard spheres with an orientationally dependent attractive interaction mediated by off-center squarewell or anisotropic square-well sites with angular cutoff (conical sites). In the last few decades a substantial amount of work has been carried out on the theoretical description of the structural and thermodynamic properties of these types of models 17,[19][20][21][22][23][24][25][26][27][28][29][30][31][32][33] (see also the review papers of Sciortino, 34 Bianchi et al 35 and references therein). However, since all these studies are based on the theory for associating fluids developed by Wertheim,6,36,37 they are focused on the versions of the models with singly bondable sites only.…”

Section: Introductionmentioning

confidence: 99%

Second-order resummed thermodynamic perturbation theory for central-force associating potential: Multi-patch colloidal models

Kalyuzhnyi

Marshall

Chapman

et al. 2013

The Journal of Chemical Physics

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We propose a second-order version of the resummed thermodynamic perturbation theory for patchy colloidal models with arbitrary number of multiply bondable patches. The model is represented by the hard-sphere fluid system with several attractive patches on the surface and resummation is carried out to account for blocking effects, i.e., when the bonding of a particle restricts (blocks) its ability to bond with other particles. The theory represents an extension of the earlier proposed first order resummed thermodynamic perturbation theory for central force associating potential and takes into account formation of the rings of the particles. In the limiting case of singly bondable patches (total blockage), the theory reduces to Wertheim thermodynamic perturbation theory for associating fluids. Closed-form expressions for the Helmholtz free energy, pressure, internal energy, and chemical potential of the model with an arbitrary number of equivalent doubly bondable patches are derived. Predictions of the theory for the model with two patches appears to be in a very good agreement with predictions of new NVT and NPT Monte Carlo simulations, including the region of strong association.

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