mean spherical approximation, dipolar Yukawa fluid, DHSF, polar fluid, Lennard-Jones potential, intermolecular potential, Yukawa potential
The dipolar hard sphere fluid (DHSF) is a useful model of a polar fluid. However, the DHSF lacks a vapor–liquid transition due to the formation of chain-like structures. Such chains are not characteristic of real polar fluids. A more realistic model of a polar fluid is obtained by adding a Lennard–Jones potential to the intermolecular potential. Very similar results are obtained by adding a Yukawa potential, instead of the Lennard–Jones potential. We call this fluid the dipolar Yukawa fluid (DYF). We show that an analytical solution of the mean spherical approximation (MSA) can be obtained for the DYF. Thus, the DYF has many of the attractive features of the DHSF. We find that, within the MSA, the Yukawa potential modifies only the spherically averaged distribution function. Thus, although the thermodynamic properties of the DYF differ from those of the DHSF, the MSA dielectric constant of the DYF is the same as that of the DHSF. This result, and some other predictions, are tested by simulations and are found to be good approximations.
Original Publication Citation
Henderson, Douglas, Dezso Boda, Istv¡n Szalai, and Kwong Y. Chan."The mean spherical approximation for a dipolar Yukawa fluid." The Journal of Chemical Physics 11 (1999): 7348-7353.
BYU ScholarsArchive Citation
Henderson, Douglas; Boda, Dezso; Szalai, Istvan; and Chan, Kwong-Yu, "The mean spherical approximation for a dipolar Yukawa fluid" (1999). Faculty Publications. 619.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 1999 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/?JCPSA6/110/7348/18
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