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Structure factor of a hard-core fluid with short-range Yukawa attraction: analytical FMSA theory against Monte Carlo simulations |
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| Authors: | Roman Melnyk Ivo Nezbeda |
| Affiliation: | 1. Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, Lviv, Ukraine;2. Faculty of Science, J. E. Purkinje University, ústí nad Labem, Czech Republic;3. E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, Academy of Sciences, Prague, Czech Republic |
| Abstract: | ABSTRACTAnalytical solution of the first-order Ornstein–Zernike equation known as the first-order mean spherical approximation (FMSA) theory due to Tang and Lu [J. Chem. Phys. 99, 9828 (1993)] is used to write down a closed equation for the static structure factor of the hard-sphere fluid with a short-range Yukawa attraction. Calculations are performed for a Yukawa decay exponent that corresponds to a range of attraction that does not exceed the first coordination shell of Lennard-Jones-like simple fluids. By comparison with Monte Carlo simulation data it is shown that the analytical FMSA equation for the static structure factor is of the same or even of superior accuracy as that within the seminumerical mean spherical approximation theory. |
| Keywords: | Static structure factor reference system hard-core fluid short-range Yukawa attraction |