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

نویسندگان

  • Roman Melnyk
  • Filip Moucka
  • Ivo Nezbeda
  • Andrij Trokhymchuk
چکیده

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.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 127 9  شماره 

صفحات  -

تاریخ انتشار 2007