analytical equation, radial distribution, g(r), Percus-Yevick equation
A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint. Physical arguments then leave only three parameters in the equation of g(r) that are to be solved numerically, whereas all remaining ones are taken from the analytical solution of the Percus-Yevick equation.
Original Publication Citation
Trokhymchuk, Andrij, Ivo Nezbeda, Jan Jirsak, and Douglas Henderson.""Hard-sphere radial distribution function again." The Journal of Chemical Physics 123 (25).
BYU ScholarsArchive Citation
Trokhymchuk, Andrij; Henderson, Douglas; Nezbeda, Ivo; and Jirsak, Jan, "Hard-sphere radial distribution function again" (2005). All Faculty Publications. 360.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 2005 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at http://link.aip.org/link/?JCPSA6/123/024501/1
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