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Multicomponent fluid of nonadditive hard spheres near a wall

Riccardo Fantoni*

Andrés Santos†

  • Dipartimento di Scienze dei Materiali e Nanosistemi, Università Ca’ Foscari Venezia, Calle Larga S. Marta DD2137, I-30123 Venezia, Italy

  • Departamento de Física, Universidad de Extremadura, E-06071 Badajoz, Spain

  • *rfantoni@ts.infn.it
  • †andres@unex.es; http://www.unex.es/eweb/fisteor/andres
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Phys. Rev. E 87, 042102 – Published 3 April, 2013

DOI: https://doi.org/10.1103/PhysRevE.87.042102

Abstract

A recently proposed rational-function approximation [Phys. Rev. E 84, 041201 (2011)] for the structural properties of nonadditive hard spheres is applied to evaluate analytically (in Laplace space) the local density profiles of multicomponent nonadditive hard-sphere mixtures near a planar nonadditive hard wall. The theory is assessed by comparison with NVT Monte Carlo simulations of binary mixtures with a size ratio 1:3 in three possible scenarios: a mixture with either positive or negative nonadditivity near an additive wall, an additive mixture with a nonadditive wall, and a nonadditive mixture with a nonadditive wall. It is observed that, while the theory tends to underestimate the local densities at contact (especially in the case of the big spheres) it captures very well the initial decay of the densities with increasing separation from the wall and the subsequent oscillations.

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References (49)

  1. D. Henderson, F. F. Abraham, and J. A. Barker, Mol. Phys. 31, 1291 (1976).
  2. D. Henderson, J. Chem. Phys. 68, 780 (1978).
  3. M. Plischke and D. Henderson, J. Phys. Chem. 88, 6544 (1984).
  4. M. Plischke and D. Henderson, J. Chem. Phys. 84, 2846 (1985).
  5. D. Henderson, K.-Y. Chan, and L. Degréve, J. Chem. Phys. 101, 6975 (1994).
  6. R. Dickman, P. Attard, and V. Simonian, J. Chem. Phys. 107, 205 (1997).
  7. W. Olivares-Rivas, L. Degréve, D. Henderson, and J. Quintana, J. Chem. Phys. 106, 8160 (1997).
  8. J. Noworyta, D. Henderson, S. Sokołowski, and J.-Y. Chan, Mol. Phys. 95, 415 (1998).
  9. Z. Tan, U. Marini Bettolo Marconi, F. van Swol, and K. E. Gubbins, J. Chem. Phys. 90, 3704 (1989).
  10. I. K. Snook and D. Henderson, J. Chem. Phys. 68, 2134 (1978).
  11. L. Degréve and D. Henderson, J. Chem. Phys. 100, 1606 (1993).
  12. M. Rottereau, T. Nicolai, and J. C. Gimel, Eur. Phys. J. E 18, 37 (2005).
  13. A. Malijevský, S. B. Yuste, A. Santos, and M. López de Haro, Phys. Rev. E 75, 061201 (2007).
  14. C. N. Patra and S. K. Ghosh, J. Chem. Phys. 106, 2762 (1997).
  15. C. N. Patra, J. Chem. Phys. 111, 6573 (1999).
  16. R. Roth and S. Dietrich, Phys. Rev. E 62, 6926 (2000).
  17. S. Zhou and E. Ruckenstein, J. Chem. Phys. 112, 5242 (2000).
  18. S. Zhou, Phys. Rev. E 63, 061206 (2001).
  19. N. Choudhury and S. K. Ghosh, J. Chem. Phys. 114, 8530 (2001).
  20. C. N. Patra and S. K. Ghosh, J. Chem. Phys. 116, 8509 (2002).
  21. C. N. Patra and S. K. Ghosh, J. Chem. Phys. 116, 9845 (2002).
  22. C. N. Patra and S. K. Ghosh, J. Chem. Phys. 117, 8933 (2002).
  23. C. N. Patra and S. K. Ghosh, J. Chem. Phys. 118, 3668 (2003).
  24. Y. Duda, E. Vakarin, and J. Alejandre, J. Colloid Interface Sci. 258, 10 (2003).
  25. A. Patrykiejew, S. Sokołowski, and O. Pizio, J. Phys. Chem. B 109, 14227 (2005).
  26. F. Jiménez-Ángeles, Y. Duda, G. Odriozola, and M. Lozada-Cassou, J. Phys. Chem. C 112, 18028 (2008).
  27. P. Hopkins and M. Schmidt, Phys. Rev. E 83, 050602 (2011).
  28. R. Fantoni and A. Santos, Phys. Rev. E 84, 041201 (2011). Note that in Eq. (2.12) the hats on the partial correlation functions should be replaced by tildes.
  29. S. Bravo Yuste, M. López de Haro, and A. Santos, Phys. Rev. E 53, 4820 (1996).
  30. M. López de Haro, S. B. Yuste, and A. Santos, in Theory and Simulation of Hard-Sphere Fluids and Related Systems, edited by A. Mulero, Vol. 753 of Lectures Notes in Physics (Springer-Verlag, Berlin, 2008), pp. 183–245.
  31. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic Press, London, 2006).
  32. R. Fantoni and G. Pastore, J. Chem. Phys. 119, 3810 (2003).
  33. A. González, J. A. White, F. L. Román, and S. Velasco, J. Chem. Phys. 135, 154704 (2011).
  34. Z. W. Salsburg, R. W. Zwanzig, and J. G. Kirkwood, J. Chem. Phys. 21, 1098 (1953).
  35. J. L. Lebowitz and D. Zomick, J. Chem. Phys. 54, 3335 (1971).
  36. M. Heying and D. S. Corti, Fluid Phase Equilib. 220, 85 (2004).
  37. A. Santos, Phys. Rev. E 76, 062201 (2007).
  38. J. L. Lebowitz, Phys. Rev. 133, A895 (1964).
  39. S. B. Yuste, A. Santos, and M. López de Haro, J. Chem. Phys. 108, 3683 (1998).
  40. R. D. Rohrmann and A. Santos, Phys. Rev. E 83, 011201 (2011).
  41. R. D. Rohrmann and A. Santos, Phys. Rev. E 84, 041203 (2011).
  42. J. Abate and W. Whitt, Queueing Systems 10, 5 (1992).
  43. D. Henderson and P. J. Leonard, Proc. Natl. Acad. Sci. USA 67, 1818 (1970).
  44. B. Widom and J. Rowlinson, J. Chem. Phys. 15, 1670 (1970).
  45. D. Ruelle, Phys. Rev. Lett. 16, 1040 (1971).
  46. R. Fantoni and G. Pastore, Physics A 332, 349 (2004). Note that there is a misprint in Eq. (13), which should read h¯12(k)=c¯12(k)[1−ρ1ρ2c¯122(k)]−1.
  47. S. Asakura and F. Oosawa, J. Chem. Phys. 22, 1255 (1954).
  48. S. Asakura and F. Oosawa, J. Polym. Sci. 33, 183 (1958).
  49. S. B. Yuste, A. Santos, and M. López de Haro, J. Chem. Phys. 128, 134507 (2008).

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Phys. Rev. E 87, 042102– Published 3 April, 2013
  • Received 5 February 2013

©2013 American Physical Society

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