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Title: Solution of the associative mean spherical approximation for a multicomponent dimerizing hard-sphere multi-Yukawa fluid

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.481892· OSTI ID:20217031
 [1];  [2];  [3];  [4]
  1. Institute for Condensed Matter Physics, Svientsitskoho 1, 290011 Lviv, (Ukraine)
  2. Department of Physics, University of Puerto Rico, Rio Piedras, Puerto Rico 00931 (Puerto Rico)
  3. Faculty of Chemistry and Chemical Technology, University of Ljubljana, 1001 Ljubljana, (Slovenia)
  4. Department of Chemistry, State University of New York at Stony Brook, New York 11794-3400 (United States)

The analytical solution of the associative mean spherical approximation (AMSA) for a Yukawa dimerizing multicomponent hard-sphere fluid is derived. The general multi-Yukawa case is discussed. The simpler one-Yukawa case with factorizable coefficients is explicitly solved. As in the previously discussed electrolyte case the solution of the AMSA reduces to the solution of only one nonlinear algebraic equation for the scaling parameter {gamma}{sup B}. The analytical results for the AMSA closure is illustrated by numerical examples and computer simulation for the one-component one-Yukawa dimerizing fluid. Good agreement between theoretical and computer simulation results was found for both the thermodynamic properties and the structure of the system. (c) 2000 American Institute of Physics.

OSTI ID:
20217031
Journal Information:
Journal of Chemical Physics, Vol. 113, Issue 3; Other Information: PBD: 15 Jul 2000; ISSN 0021-9606
Country of Publication:
United States
Language:
English