Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces

  • Aziz Ghoufi
  • Janine Emile
  • Patrice Malfreyt
Colloquium

Abstract

Many Body Dissipative Particles Dynamics (MDPD) simulation is a novel promising mesoscopic method to model the liquid-vapor interfaces. Based upon works of Paganobarraga and Frenkel (J. Chem. Phys. 15, 5015 (2001)) and Trofimov (J. Chem. Phys. 117, 9383 (2002)) and of Warren (Phys. Rev. E 68, 066702 (2003)) this method has been critically reviewed during this last decade. We propose here to give an overview of the Many Body Dissipative Particles Dynamic simulation within the framework of the liquid-vapor interfaces. We recall the theoretical background of MDPD and we present some recent results of systems of interest such as water liquid-vapor interfaces and salt effect on water surface tension. Additionally we discuss the ability of MDPD to capture the mechanisms at the mesoscopic scale through the formation of micelles and the coalescence of a nanodroplet water on water surface.

Graphical abstract

Keywords

Soft Matter: Interfacial Phenomena and Nanostructured Surfaces 

References

  1. 1.
    F. Goujon, P. Malfreyt, A. Boutin et al., Mol. Simul. 27, 99 (2001)CrossRefGoogle Scholar
  2. 2.
    F. Goujon, P. Malfreyt, A. Boutin et al., J. Chem. Phys. 116, 8106 (2002)ADSCrossRefGoogle Scholar
  3. 3.
    F. Goujon, P. Malfreyt, D.J. Tildesley, Chem. Phys. Chem. 5, 100 (2004)CrossRefGoogle Scholar
  4. 4.
    C. Ibergay, A. Ghoufi, F. Goujon et al., Phys. Rev. E 75, 051602 (2007)ADSCrossRefGoogle Scholar
  5. 5.
    F. Biscay, A. Ghoufi, F. Goujon et al., J. Phys. Chem. B 112, 13885 (2008)CrossRefGoogle Scholar
  6. 6.
    J. Janecek, H. Krienke, G. Schmeer, Condens. Matter Phys. 10, 415 (2007)CrossRefGoogle Scholar
  7. 7.
    C. Nieto-Draghi, P. Bonnaud, P. Ungerer, J. Phys. Chem. C 111, 15686 (2007)CrossRefGoogle Scholar
  8. 8.
    F. Biscay, A. Ghoufi, V. Lachet et al., Phys. Chem. Chem. Phys. 111, 6132 (2009)CrossRefGoogle Scholar
  9. 9.
    C. Vega, E. de Miguel, J. Chem. Phys. 126, 154707 (2007)ADSCrossRefGoogle Scholar
  10. 10.
    A. Ghoufi, F. Goujon, V. Lachet et al., J. Chem. Phys. 128, 154716 (2008)ADSCrossRefGoogle Scholar
  11. 11.
    A. Ghoufi, P. Malfreyt, Phys. Rev. E 82, 016706 (2010)ADSCrossRefGoogle Scholar
  12. 12.
    J. Alejandre, D.J. Tildesley, G.A. Chapela, J. Chem. Phys. 102, 4574 (1995)ADSCrossRefGoogle Scholar
  13. 13.
    A. Ghoufi, F. Goujon, V. Lachet et al., Phys. Rev. E 77, 031601 (2008)ADSCrossRefGoogle Scholar
  14. 14.
    A. Ghoufi, F. Goujon, V. Lachet et al., J. Chem. Phys. 128, 154718 (2008)ADSCrossRefGoogle Scholar
  15. 15.
    F. Biscay, A. Ghoufi, P. Malfreyt, J. Chem. Phys. 134, 044709 (2011)ADSCrossRefGoogle Scholar
  16. 16.
    F. Biscay, A. Ghoufi, V. Lachet et al., J. Phys. Chem. C 115, 17, 8670 (2011)CrossRefGoogle Scholar
  17. 17.
    E. de Miguel, G. Jackson, J. Chem. Phys. 125, 164109 (2006)ADSCrossRefGoogle Scholar
  18. 18.
    G.J. Gloor, G. Jackson, F.J. Blas et al., J. Chem. Phys. 123, 134703 (2005)ADSCrossRefGoogle Scholar
  19. 19.
    J. Vrabec, G.K. Kedia, G. Fuchs et al., Mol. Phys. 104, 1509 (2006)ADSCrossRefGoogle Scholar
  20. 20.
    H.E. Bardouni, M. Mareschal, R. Lovett et al., J. Chem. Phys. 113, 21, 9804 (2000)CrossRefGoogle Scholar
  21. 21.
    F. Biscay, A. Ghoufi, V. Lachet et al., J. Chem. Phys. 130, 184710 (2009)ADSCrossRefGoogle Scholar
  22. 22.
    F. Biscay, A. Ghoufi, V. Lachet et al., J. Phys. Chem. B 113, 14277 (2009)CrossRefGoogle Scholar
  23. 23.
    F. Biscay, A. Ghoufi, P. Malfreyt, Phys. Chem. Chem. Phys. 13, 23, 11308 (2011)CrossRefGoogle Scholar
  24. 24.
    P.J. Hoogerbrugge, J.M.V.A. Koelman, Europhys. Lett. 19, 155 (1992)ADSCrossRefGoogle Scholar
  25. 25.
    S.H.L. Klapp, D.J. Diestler, M. Schoen, J. Phys.: Condens. Matter 16, 7331 (2004)ADSCrossRefGoogle Scholar
  26. 26.
    J.B. Avalos, A.D. Mackie, Europhys. Lett. 40, 141 (1997)ADSCrossRefGoogle Scholar
  27. 27.
    P. Espanol, Europhys. Lett. 40, 631 (1997)ADSCrossRefGoogle Scholar
  28. 28.
    J.B. Avalos, A.D. Mackie, J. Chem. Phys. 111, 5267 (1999)ADSCrossRefGoogle Scholar
  29. 29.
    R.D. Groot, J. Chem. Phys. 118, 11265 (2003)ADSCrossRefGoogle Scholar
  30. 30.
    M. Gonzalez-Melchor, E. Mayoral, M.E. Velazquez et al., J. Chem. Phys. 125, 224107 (2006)ADSCrossRefGoogle Scholar
  31. 31.
    C. Ibergay, P. Malfreyt, D.J. Tildesley, J. Chem. Theor. Comput. 5, 3245 (2009)CrossRefGoogle Scholar
  32. 32.
    C. Ibergay, P. Malfreyt, D.J. Tildesley, J. Phys. Chem. B 114, 7274 (2010)CrossRefGoogle Scholar
  33. 33.
    I. Pagonabarraga, D. Frenkel, J. Chem. Phys. 115, 5015 (2001)ADSCrossRefGoogle Scholar
  34. 34.
    S.Y. Trofimov, E.L.F. Nies, M.A. Michels, J. Chem. Phys. 117, 9383 (2002)ADSCrossRefGoogle Scholar
  35. 35.
    P.B. Warren, Phys. Rev. E 68, 066702 (2003)ADSCrossRefGoogle Scholar
  36. 36.
    S.Y. Trofimov, E.L.F. Nies, M.A.J. Michels, J. Chem. Phys. 123, 144102 (2005)ADSCrossRefGoogle Scholar
  37. 37.
    A. Ghoufi, P. Malfreyt, Phys Rev. E 83, 051601 (2011)ADSCrossRefGoogle Scholar
  38. 38.
    A. Ghoufi, P. Malfreyt, J. Chem. Phys. 136, 024104 (2012)ADSCrossRefGoogle Scholar
  39. 39.
    P. Espanol, P.B. Warren, Europhys. Lett. 30, 191 (1995)ADSCrossRefGoogle Scholar
  40. 40.
    M. Arienti, W. Pan, X. Li et al., J. Chem. Phys 134, 204114 (2011)ADSCrossRefGoogle Scholar
  41. 41.
    C. Chen, C. Gao, L. Zhuang et al., Langmuir 26, 12, 9533 (2010)Google Scholar
  42. 42.
    C. Chen, L. Zhuang et al., Langmuir 28, 1330 (2012)CrossRefGoogle Scholar
  43. 43.
    A. Ghoufi, P. Malfreyt, Phys. Rev. E 83, 051601 (2011)ADSCrossRefGoogle Scholar
  44. 44.
    J.G. Kirkwood, F.P. Buff, J. Chem. Phys. 17, 338 (1949)ADSCrossRefGoogle Scholar
  45. 45.
    J.H. Irving, J.G. Kirkwood, J. Chem. Phys. 18, 817 (1950)MathSciNetADSCrossRefGoogle Scholar
  46. 46.
    A. Ghoufi, P. Malfreyt, Phys. Rev. E 82, 016706 (2010)ADSCrossRefGoogle Scholar
  47. 47.
    E.W. Lemmon, M.O. McLinden, Thermophysical Properties of Fluid Systems, in NIST Chemistry WebbookGoogle Scholar
  48. 48.
    F.J. Millero, R.W. Curry, W. Drost-Hansen, J. Chem. Eng. Data 14, 422 (1969)CrossRefGoogle Scholar
  49. 49.
    S.M. Thompson, K.E. Gubbins, J. Chem. Phys. 81, 1, 530 (1984)ADSCrossRefGoogle Scholar
  50. 50.
    A. Ghoufi, P. Malfreyt, J. Chem. Phys. 135, 104105 (2011)ADSCrossRefGoogle Scholar
  51. 51.
    J.G. Sampayo, A. Malijevsky, E.A. Muller et al., J. Chem. Phys. 132, 141101 (2010)ADSCrossRefGoogle Scholar
  52. 52.
    B.J. Block, S.K. Das, M. Oettel et al., J. Chem. Phys. 133, 154702 (2010)ADSCrossRefGoogle Scholar
  53. 53.
    A. Heydweiller, Ann. Phys. (Leipzig) 33, 145 (1910)ADSCrossRefGoogle Scholar
  54. 54.
    Y. Levin, A.P. dos Santos, A. Diehl, Phys. Rev. Lett. 103, 257802 (2009)ADSCrossRefGoogle Scholar
  55. 55.
    Y. Levin, Phys. Rev. Lett. 102, 14, 147803 (2009)CrossRefGoogle Scholar
  56. 56.
    P. Jungwirth, D.J. Tobias, J. Phys. Chem. B 105, 10468 (2001)CrossRefGoogle Scholar
  57. 57.
    R. D'auria, D.J. Tobias, J. Phys. Chem. A 115, 7286 (2009)CrossRefGoogle Scholar
  58. 58.
    D. Bhatt, J. Newman, C.J. Radke, J. Phys. Chem. B 108, 9077 (2004)CrossRefGoogle Scholar
  59. 59.
    A. Frumkin, Z. Phys. Chem. 109, 34 (1924)Google Scholar
  60. 60.
    G. Markovich, S. Pollack, R. Giniger et al., J. Chem. Phys. 95, 9416 (1991)ADSCrossRefGoogle Scholar
  61. 61.
    S. Ghosal, Science 307, 567 (2005)ADSCrossRefGoogle Scholar
  62. 62.
    B. Garret, Science 303, 1146 (2004)CrossRefGoogle Scholar
  63. 63.
    L. Onsager, N.N.T. Samaras, J. Chem. Phys. 2, 258 (1934)Google Scholar
  64. 64.
    P. Flory, Principles of Polymer Chemistry (Cornell University Press, 1953)Google Scholar
  65. 65.
    R.D. Groot, P.B. Warren, J. Chem. Phys. 107, 4423 (1997)ADSCrossRefGoogle Scholar
  66. 66.
    E. Ryjkina, H. Kuhn, H. Rehage et al., Angew. Chem. Int. Ed. 41, 983 (2002)CrossRefGoogle Scholar
  67. 67.
    A. Ghoufi, P. Malfreyt, J. Chem. Theor. Comput. 8, 787 (2012)CrossRefGoogle Scholar
  68. 68.
    I.C. Yeh, M.L. Berkowitz, J. Chem. Phys. 111, 3155 (1999)ADSCrossRefGoogle Scholar
  69. 69.
    E.R. Smith, Proc. R. Soc. London, Ser. A 375, 475 (1981)ADSCrossRefMATHGoogle Scholar
  70. 70.
    K.E. Novik, P.V. Coveney, Int. J. Mod. Phys. C 8, 909 (1997)ADSCrossRefGoogle Scholar
  71. 71.
    A. Maiti, S. McGrother, J. Chem. Phys. 120, 1594 (2004)ADSCrossRefGoogle Scholar
  72. 72.
    G. Vasquez, E. Alvarez, J.M. Navaza, J. Chem. Eng. Data 40, 611 (1995)CrossRefGoogle Scholar
  73. 73.
    J. Escobedo, G.-A. Mansoori, AIChE J. 44, 10, 2324 (1998)CrossRefGoogle Scholar
  74. 74.
    J. Shelley, M. Shelley, Curr. Opinion Colloid Interface Sci. 5, 101 (2000)CrossRefGoogle Scholar
  75. 75.
    H. Kellay, B. Binks, Y. Hendrikx et al., Adv. Colloid Interface Sci. 49, 85 (1994)CrossRefGoogle Scholar
  76. 76.
    L. Rayleigh, Proc. R. Soc. London 34, 130 (1882)CrossRefGoogle Scholar
  77. 77.
    L. Rayleigh, Proc. R. Soc. London 29, 71 (1879)CrossRefGoogle Scholar
  78. 78.
    J.J. Thomson, H.F. Newall, Proc. R. Soc. London 39, 417 (1885)CrossRefGoogle Scholar
  79. 79.
    O. Reynolds, Proc. Cambridge Philos. Soc. 14, 86 (1875)Google Scholar
  80. 80.
    O. Reynolds, Proc. Cambridge Philos. Soc. 21, 413 (1881)Google Scholar
  81. 81.
    E.M. Honey, H.P. Kavehpour, Phys. Rev. E 73, 027301 (2006)ADSCrossRefGoogle Scholar
  82. 82.
    L. Ming-Liang, J. Shin-Pon, Y. Sheng-Hui, J. Phys. Chem. C 111, 6927 (2007)CrossRefGoogle Scholar
  83. 83.
    A. Sing, A. Garciaa, J. Lachaise et al., Colloids Surf. A 31, 151 (1999)Google Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  • Aziz Ghoufi
    • 1
  • Janine Emile
    • 1
  • Patrice Malfreyt
    • 2
  1. 1.Institut de Physique de RennesUniversité Rennes 1RennesFrance
  2. 2.Institut de Chimie de Clermont-FerrandICCFClermont-FerrandFrance

Personalised recommendations