TITLE

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

AUTHOR(S)
Melnyk, Roman; Mouka, Filip; Nezbeda, Ivo; Trokhymchuk, Andrij
PUB. DATE
September 2007
SOURCE
Journal of Chemical Physics;9/7/2007, Vol. 127 Issue 9, p094510
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
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.
ACCESSION #
26554933

 

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