Inverse temperature expansion of some parameters arising from the solution of the mean spherical approximation integral equation for a Yukawa fluid

Henderson, Douglas; Blum, L.; Noworyta, Jerzy P.

doi:10.1063/1.469545

Cited by 111 publications

(69 citation statements)

References 11 publications

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“…A fully analytical but rather involved MSA solution in real space has been found by Waisman. 24 Expansions in terms of the contact potential up to fifth order were developed by Henderson et al 25 Tavares and Prausnitz 26 used perturbation theory to compute fluid-fluid, fluid-solid, and solid-solid coexistence.…”

Section: Introductionmentioning

confidence: 99%

Critical Endpoint and Analytical Phase Diagram of Attractive Hard-Core Yukawa Spheres

Tuinier

Fleer

2006

J. Phys. Chem. B

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We analytically calculate the gas-liquid critical endpoint (cep) for hard spheres with a Yukawa attraction. This cep is a boundary condition for the existence of a liquid. We use an analytical Helmholtz energy expression for the attractive Yukawa (hard) spheres based on the first-order mean spherical approximation to the attractive Yukawa potential by Tang and Lu (J. Chem. Phys. 1993, 99, 9828). This theory and our analytical simplification of it predict the gas-liquid and fluid-solid phase behavior, as found from computer simulations, very accurately as long as the range 1/κ of attraction is not too short. We find that the cep is situated at κσ ≈ 6 and at a contact potential around 2 kT. It follows that a liquid state is only possible when the attraction range is longer than 1 / 6 of the particle diameter σ, and the attraction strength is smaller than 2 kT. The liquid region does not span more than 0.6 kT in strength, and there is also a relatively narrow window for the attraction range.

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Section: Introductionmentioning

confidence: 99%

Critical Endpoint and Analytical Phase Diagram of Attractive Hard-Core Yukawa Spheres

Tuinier

Fleer

2006

J. Phys. Chem. B

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“…Duh and Mier-Y-Teran (9) extended the expansion of Henderson et al (11) to infinite order. They summed the whole series after some algebraic manipulation without truncation and presented an explicit and analytical EOS for the one-component Yukawa fluid.…”

Section: Theorymentioning

confidence: 97%

“…This original solution involves six nonlinear algebraic equations with six unknowns, which are difficult to solve. Recently, based on MSA, Henderson et al (11) gave explicit analytical formulas for the coefficients of the inverse temperature expansion of the Helmholtz free energy, pressure, and internal energy, but only up to the fifth term (n = 5),…”

Section: Theorymentioning

confidence: 99%

Correlation and Prediction of Osmotic Pressures for Aqueous Bovine Serum Albumin–NaCl Solutions Based on Two Yukawa Potentials

Lin

2001

Journal of Colloid and Interface Science

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“…Expanding Γ in powers of the inverse temperature, Henderson et al [9] obtained a polynomial expression for the free energy and, subsequently, Duh and Mier-YTeran [21] remarked that the polynomial exhibits a binomial-like trend allowing to write the free energy A in the following form…”

Section: Hard-core Attractive Yukawa Fluid As Reference Systemmentioning

confidence: 99%

“…The original solution given by Waisman [4] within the mean-spherical approximation (MSA) involved a set of six algebraic equations with six parameters, but progressively valuable simplifications have been found [5 -7] giving a reduced number of unknown parameters and simpler analytical expressions for the thermodynamic properties and the pair-correlation function. For the purpose of this work, the expressions for these properties will be used in expanded forms in powers of the inverse temperature, as derived by Henderson et al [8,9].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic equivalence between the Lennard–Jones and hard-core attractive Yukawa systems

Kadiri

Albaki

Bretonnet³

2008

Chemical Physics

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Thermodynamic properties of the Lennard-Jones (LJ) fluid are investigated by studying a system of particles interacting with a potential of hard-core plus attractive Yukawa tail (HCY). Due to the similarity of the LJ and the HCY potentials in their overall form, it is worthwhile seeking to approximate the LJ potential in much the same way that the hard-sphere reference potential has been used. The study consists in describing the thermodynamics of the LJ fluid in terms of the equivalent HCY system, whose properties are known accurately, by means of mapping the thermodynamic quantities for the HCY potential parameters. The method is feasible owing to a convenient analytical expression for the Helmholtz free energy in the mean-spherical approximation expanded in powers of the inverse temperature. Two different procedures are used to determine the parameters of the HCY potential as a function of the thermodynamic states: one is based on the simultaneous fits of pressure and internal energy of the LJ system, and the other uses the concept of collision frequency. The reasonable homogeneity of the results in both procedures of mapping makes the HCY potential a very good reference system whose theoretical expressions can be used confidently to predict the thermodynamic properties of systems with more realistic potentials.PACS numbers: 61.20. Gy, 65.90.+i, UDC 536.632, 538.953

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Inverse temperature expansion of some parameters arising from the solution of the mean spherical approximation integral equation for a Yukawa fluid

Cited by 111 publications

References 11 publications

Critical Endpoint and Analytical Phase Diagram of Attractive Hard-Core Yukawa Spheres

Critical Endpoint and Analytical Phase Diagram of Attractive Hard-Core Yukawa Spheres

Correlation and Prediction of Osmotic Pressures for Aqueous Bovine Serum Albumin–NaCl Solutions Based on Two Yukawa Potentials

Thermodynamic equivalence between the Lennard–Jones and hard-core attractive Yukawa systems

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