Novel perturbation approach for the structure factor of the attractive hard-core Yukawa fluid

Abstract

A novel perturbation approach for the structure factor S(k) of the Lennard-Jones-type Yukawa fluid with z=1.8 is presented. An approach is based on a new reference system, that is, the short-range Yukawa model with z0>z=1.8. By choosing for the reference system the value z0=6, it is shown that (i) the proposed approach for S(k) performs much better than the traditional hard-sphere reference perturbation method does; (ii) the use of an approximate mean spherical (MSA) description of the reference structure factor provides the results for S(k) that are more accurate as those obtained from the direct MSA computations; and (iii) the results obtained for S(k) tend to reproduce "exact" simulation results when accurate simulation data for the reference system are used.

Equation of state of a long-range triangular-well fluid

“…Nowadays, both these requirements are satisfied by the hard-core Yukawa potential. Taking into account that the analytic results for the thermodynamic functions within the mean spherical approximation are available for this fluid [25][26][27][28], in recent years it has also been used as a reference system as an alternative to the HS [29][30][31].…”

“…Melynk et al [29] presented a novel perturbation approach to calculate the structure factor SðkÞ of the medium-range Yukawa fluid with z ¼ 1:8 based on the short-range Yukawa model with z 0 4 z as the reference system where z and z 0 are the decay parameters that measure the range of attraction. They showed that the proposed approach works much better than the traditional HS reference perturbation method.…”

“…This choice of z is discussed in detail in Refs. [29,30]. For a perturbation potential given by Equation (12), the perturbation quantity a can be evaluated analytically as a ¼ À2" 3 …”

Interfacial and coexistence properties of soft spheres with a short-range attractive Yukawa fluid: Molecular dynamics simulations

“…[4][5][6][7][8][9][10][11] Recently, renewed attention has been paid to hard-core attractive Yukawa fluids with short attraction range. [12][13][14][15][16][17][18][19] This interest stems mainly because they capture the most important features of real systems, such as interfacial and coexistence properties which rule many industrial processes and biological phenomena.…”

Vapor–liquid surface tension of strong short-range Yukawa fluid

“…The short-range hard-core attractive Yukawa (HCAY) fluid has been widely used as a simple model for testing a variety of theories [1][2][3][4][5][6] and as a reference system for modeling the behavior of real fluids, such as colloidal suspensions 7,8 and protein solutions [9][10][11] . Its high popularity is due to the fact that it captures the most important features of these systems, such as coexistence and interfacial properties which rule many industrial processes and biological phenomena.…”