solute-solvent pair distribution, additive hard sphere mixture, contact values, Henderson-Chan formula, Monte Carlo data, Matyushov and Ladanyi
Contact values for the solute-solvent pair distribution function in an additive hard sphere mixture, as computed from the Henderson-Chan (HC) formulas, are compared with the recent Monte Carlo (MC) data and formula of Matyushov and Ladanyi (ML) [J. Chem. Phys. 107, 5815 (1997)]. The agreement is found to be excellent. The negative finding of ML is due to a misprint in one of the HC publications. We find the HC formula to be superior to the ML formula when compared to our MC data [Mol. Phys. 91, 1137 (1997)] for the case where the ratio of diameters is large and the concentration of small spheres is small but not zero. However, more simulation data is needed.
Original Publication Citation
Henderson, Douglas and Kwong Y. Chan."Solute-solvent pair distribution functions in highly asymmetric additive hard sphere mixtures." The Journal of Chemical Physics 18 (1998): 9946-9947.
BYU ScholarsArchive Citation
Henderson, Douglas and Chan, Kwong-Yu, "Solute-solvent pair distribution functions in highly asymmetric additive hard sphere mixtures" (1998). Faculty Publications. 645.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 1998 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/?JCPSA6/108/9946/1
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