Abstract
Thermodynamic perturbation theories based on a power series in the inverse temperature have been proposed for studying the structure of square-well and square-shoulder fluids in various ranges, and the results have compared with those from computer simulations. The perturbation theory based on the hard-sphere reference system seems to reproduce the simulation data at high temperature. However, it fails in the region of low density and low temperature. On the other hand, the perturbation theory based on the high-temperature reference system, which incorporates both repulsive and short-range attractive/repulsive tails is in excellent agreement with simulation results and is more accurate than the perturbation theory based on the hard-sphere reference system. In particular, the perturbation theory based on the high-temperature reference system is the most successful for a square-shoulder fluid with a purely repulsive potential and is more accurate than the rational function approximation of Yuste et al. [Mol. Phys. 109 987 (2011)] for the whole density range. In this case, the convergence of the power series in the inverse temperature is seen to be quiet satisfactory even for low density and low temperature.
Similar content being viewed by others
References
J. A. Barker and D. Henderson, Rev. Mod. Phys. 48, 589 (1976).
J.-P. Hansen and I. R. McDonald, Theory of simple liquids, 3rd ed. (Academic Press, London, 2006).
D. Henderson, L. Mier-Y-Terán and L. Blum,, Fluid Phase Equilib. 130, 65 (1997).
K. P. Shukla, J. Chem. Phys. 112, 10358 (2000).
E. Waisman, Mol. Phys. 25, 45 (1973).
Y. Tang and B. C.-Y. Lu, J. Chem. Phys. 99, 9828 (1993); Y. Tang, J. Chem. Phys. 118 4140 (2003); Y. Tang, J. Chem. Phys. 127, 164504 (2007).
S. P. Hlushak, A. Trokhymchuk and S. Sokolowski, J. Chem. Phys. 130, 234511 (2009); J. Chem. Phys. 134, 114101 (2011).
S. P. Hlushak, P. A. Hlushak and A. Trokhymchuk, J. Chem. Phys. 138, 164107 (2013).
A. S. Ramana and S. V. G. Menon, Phys. Rev. E 87, 022101 (2013).
A. S. Ramana, J. Chem. Phys. 139, 044106 (2013).
S. Zhou, Phys. Rev. E 74, 031119 (2006); 77, 041110 (2008).
M. Khanpour, Phys. Rev. E 83, 021203 (2011).
S. Zhou, Phys. Rev. E 79, 011126 (2009); J. Chem. Phys. 130, 054103 (2009).
R. Melnyk, I. Nezbeda, D. Henderson and A. Trokhymchuk, Fluid Phase Equilib. 279, 1 (2009).
E.-Y. Kim, S.-C. Kim and B.-S. Seong, J. Chem. Phys. 135, 034505 (2011).
S. B. Yuste and A. Santos, J. Chem. Phys. 101, 2355 (1994).
A. Lang, G. Kahl, C.N. Likos, H. Löwen and M. Watzlawek,, J. Phys.: Condens. Matter 11, 10143 (1999).
A. L. Benavides and A. Gil-Villegas, Mol. Phys. 97, 1225 (1999); A. Benavides, L. del Pino, A. Gil-Villegas and F. Sastre, J. Chem. Phys. 125, 204715 (2006).
G. Malescio, G. Franzese, G. Pellicane, A. Skibinsky, S. V. Buldyrev and H. E. Stanley, J. Phys.: Condens. Matter 14, 2193 (2002); A. Skibinsky, S. V. Buldyrev, G. Franzese, G. Malescio and H. E. Stanley, Phys. Rev. E 69, 061206 (2004); G. Malescio, G. Franzese, A. Skibinsky, S. V. Buldyrev and H. E. Stanley, Phys. Rev. E 71, 061504 (2005).
J. Largo, J. R. Solana, S. B. Yuste and A. Santos, J. Chem. Phys. 122, 084510 (2005).
L. A. Cervantes, A. L. Benavides and F. del Rio, J. Chem. Phys. 126, 084507 (2007).
I. Guillén-Escamilla, M. Chávez-Páez and R. Castañeda-Priego, J. Phys.: Condens. Matter 19, 086224 (2007).
E. B. El Mendoub, J. F. Wax, I. Charpentier and N. Jakse, Mol. Phys. 106, 2667 (2008).
I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego, Mol. Phys. 108, 141 (2010)
I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego, Physica A 390, 3637 (2011); A. Loredo-Osti and R. Castaneda-Priego, J. Nanofluids 1, 3636 (2012)
W. Rysko, O. Pizio, A. Patrykiejew and S. Sokolowski, J. Chem. Phys. 129, 124502 (2008); A. Patrykiejew, O. Pizio, W. Rysko and S. Sokolowski, J. Chem. Phys. 132, 164702 (2010).
S. B. Yuste, A. Santos and M. López de Haro, Mol. Phys. 109, 987 (2011).
A. Santos, S. B. Yuste and M. López de Haro, Condens. Matter Phys. 15, 23602 (2012).
A. Santos, S. B. Yuste, M. López de Haro, M. Bárcenas and P. Orea, arXiv:1304.3817 (cond-mat.soft) (2013)
J. M. Bomont, in Recent Advances in the Field of Integral Equation Theories, Adv. Chem. Phys. vol. 139, edited by S.A. Rice (John Wiley and Sons, NJ, 2008).
A. Malijvesky and S. Labik, Mol. Phys. 60, 663 (1987).
E.-Y. Kim and S.-C. Kim, J. Mol. Liq. 187, 326 (2013).
G. Sarkisov, J. Chem. Phys. 114, 9496 (2001).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Kim, EY., Kim, SC. Structural properties of fluids with short-range attractive and repulsive tails: Inverse temperature expansion. Journal of the Korean Physical Society 64, 844–851 (2014). https://doi.org/10.3938/jkps.64.844
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.3938/jkps.64.844