Evolutionary optimization of the Verlet closure relation for the hard-sphere and square-well fluids
E Bedolla, LC Padierna, R Castañeda-Priego - Physics of Fluids, 2022 - pubs.aip.org
The Ornstein–Zernike equation is solved for the hard-sphere and square-well fluids using a
diverse selection of closure relations; the attraction range of the square-well is chosen to be
λ= 1.5. In particular, for both fluids, we mainly focus on the solution based on a three-
parameter version of the Verlet closure relation [Verlet,“Integral equations for classical fluids.
II. Hard spheres again,” Mol. Phys. 42, 1291–1302 (1981)]. To find the free parameters of the
latter, an unconstrained optimization problem is defined as a condition of thermodynamic …
diverse selection of closure relations; the attraction range of the square-well is chosen to be
λ= 1.5. In particular, for both fluids, we mainly focus on the solution based on a three-
parameter version of the Verlet closure relation [Verlet,“Integral equations for classical fluids.
II. Hard spheres again,” Mol. Phys. 42, 1291–1302 (1981)]. To find the free parameters of the
latter, an unconstrained optimization problem is defined as a condition of thermodynamic …
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