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

Authors :
Melnyk R
Moucka F
Nezbeda I
Trokhymchuk A
Source :
The Journal of chemical physics [J Chem Phys] 2007 Sep 07; Vol. 127 (9), pp. 094510.
Publication Year :
2007

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.

Details

Language :
English
ISSN :
0021-9606
Volume :
127
Issue :
9
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
17824751
Full Text :
https://doi.org/10.1063/1.2766937