Skip to main content
Log in

Computer simulations of micellar systems

  • Published:
Colloid Journal Aims and scope Submit manuscript

Abstract

Works published during the last decade devoted to simulation of micellar solutions of different surfactants are reviewed. The main attention is focused on studying the local structure of spherical and cylindrical micelles and their surface layers in solutions, as well as problems relevant to self-aggregation kinetics.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. Larson, R.G., J. Chem. Phys., 1989, vol. 91, p. 2479.

    Article  CAS  Google Scholar 

  2. Smit, B., Hilbers, P.A.J., Esselink, K., Rupert, L.A.M., and Van Os, N.M., J. Phys. Chem., 1991, vol. 95, p. 6361; Smit, B., Esselink, K., Hilbers, P.A.J., Van Os, N.M., Rupert, L.A.M., and Szleifero, I., Langmuir, 1993, vol. 9, p. 9.

    Article  CAS  Google Scholar 

  3. Shelley, J.C. and Shelley, M.Y., COCIS, 2000, vol. 5, p. 101.

    CAS  Google Scholar 

  4. Feller, S.E., COCIS, 2000, vol. 5, p. 217.

    CAS  Google Scholar 

  5. Mudzhikova, G.V. and Brodskaya, E.N., Kolloidn. Zh. (in press).

  6. Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids, Oxford: Oxford Univ. Press, 1989.

    Google Scholar 

  7. Smit, B. and Frenkel, D., Understanding Molecular Simulation: From Algorithms to Applications, New York: Academic, 2002.

    Google Scholar 

  8. Nily, D., COCIS, 2010, vol. 15, p. 1.

    CAS  Google Scholar 

  9. Berendsen, H.J.C., Postma, J.P.M., Gunsteren, W.F., and Hermans, J., in Intermolecular Forces, Pullman, B., Ed., Dordrecht: Reidel, 1981, p. 331.

    Google Scholar 

  10. Berendsen, H.J.C., Grigera, J.R., and Straatsma, T.P., J. Phys. Chem., 1987, vol. 91, p. 6269.

    Article  CAS  Google Scholar 

  11. Jorgensen, W.L., Chandrasekar, J., Madura, J.D., Impey, R.W., and Klein, M.L., J. Chem. Phys., 1983, vol. 79, p. 926.

    Article  CAS  Google Scholar 

  12. Kusaka, I. and Oxtoby, D.W., J. Chem. Phys., 2001, vol. 115, p. 4883.

    Article  CAS  Google Scholar 

  13. Pool, R. and Bolhuis, P.G., J. Phys. Chem. B, 2005, vol. 109, p. 6650.

    Article  CAS  Google Scholar 

  14. Mohanty, S., Davis, H.T., and McCormick, A.V., Langmuir, 2001, vol. 17, p. 7160.

    Article  CAS  Google Scholar 

  15. Stephenson, B.C., Beers, K., and Blankschtein, D., Langmuir, 2006, vol. 22, p. 1500.

    Article  CAS  Google Scholar 

  16. Yoshii, N., Iwahashi, K., and Okazaki, S., J. Chem. Phys., 2006, vol. 124, p. 184901.

    Article  Google Scholar 

  17. Yoshii, N., Iwahashi, K., and Okazaki, S., J. Chem. Phys., 2007, vol. 126, p. 096101.

    Article  Google Scholar 

  18. Burov, S.V., Vorontsov-Velyaminov, P.N., and Piotrovskaya, E.M., Mol. Phys., 2006, vol. 104, p. 3675.

    Article  CAS  Google Scholar 

  19. Lyubartsev, A.P., Martsinovski, A.A., Shevkunov, S.V., and Vorontsov-Velyaminov, P.N., J. Chem. Phys., 1992, vol. 96, p. 1776.

    Article  CAS  Google Scholar 

  20. Burov, S.V. and Shchekin, A.K., J. Chem. Phys., 2010, vol. 133, p. 244109.

    Article  CAS  Google Scholar 

  21. Kuni, F.M., Rusanov, A.I., Shchekin, A.K., and Grinin, A.P., Zh. Fiz. Khim., 2005, vol. 79, p. 967.

    Google Scholar 

  22. Tieleman, D.P., Van der Spoel, D., and Berendsen, H.J.C., J. Phys. Chem. B, 2000, vol. 104, p. 6380.

    Article  CAS  Google Scholar 

  23. Bogusz, S., Venable, R.M., and Pastor, R.W., J. Phys. Chem. B, 2000, vol. 104, p. 5462.

    Article  CAS  Google Scholar 

  24. Bogusz, S., Venable, R.M., and Pastor, R.W., J. Phys. Chem. B, 2001, vol. 105, p. 8312.

    Article  CAS  Google Scholar 

  25. Garde, S., Yang, L., Dordick, J.S., and Paulaitis, M.E., Mol. Phys., 2002, vol. 100, p. 2299.

    Article  CAS  Google Scholar 

  26. Bruce, C.D., Berkowitz, M.L., Perera, L., and Forbes, M.D.E., J. Phys. Chem. B, 2002, vol. 106, p. 3788.

    Article  CAS  Google Scholar 

  27. Bruce, C.D., Senapati, S., Berkowitz, M.L., Perera, L., and Forbes, M.D.E., J. Phys. Chem. B, 2002, vol. 106, p. 10902.

    Article  CAS  Google Scholar 

  28. Balasubramanian, S. and Bagchi, B., J. Phys. Chem. B, 2001, vol. 105, p. 12529.

    Article  CAS  Google Scholar 

  29. Balasubramanian, S. and Bagchi, B., J. Phys. Chem. B, 2002, vol. 106, p. 3668.

    Article  CAS  Google Scholar 

  30. Pal, S., Balasubramanian, S., and Bagchi, B., J. Chem. Phys., 2002, vol. 117, p. 2852.

    Article  CAS  Google Scholar 

  31. Balasubramanian, S., Pal, S., and Bagchi, B., Phys. Rev. Lett., 2002, vol. 89, p. 115505.

    Article  Google Scholar 

  32. Pal, S., Balasubramanian, S., and Bagchi, B., J. Phys. Chem. B, 2003, vol. 107, p. 5194.

    Article  CAS  Google Scholar 

  33. Pal, S., Balasubramanian, S., and Bagchi, B., Phys. Rev. E: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top., 2003, vol. 67, p. 061502.

    Article  Google Scholar 

  34. Pal, S., Bagchi, B., and Balasubramanian, S., J. Phys. Chem., 2005, vol. 109, p. 12879.

    Article  CAS  Google Scholar 

  35. Sterpone, F., Briganti, G., and Pierleoni, C., Langmuir, 2001, vol. 17, p. 5103.

    Article  CAS  Google Scholar 

  36. Sterpone, F., Pierleoni, C., Briganti, G., and Marchi, M., Langmuir, 2004, vol. 20, p. 4311.

    Article  CAS  Google Scholar 

  37. Sterpone, F., Marchetti, G., Pierleoni, C., and Marchi, M., J. Phys. Chem. B, 2006, vol. 110, p. 11504.

    Article  CAS  Google Scholar 

  38. Sterpone, F., Pierleoni, C., Briganti, G., and Marchi, M., J. Phys. Chem. B, 2006, vol. 110, p. 18254.

    Article  CAS  Google Scholar 

  39. Sterpone, F., Briganti, G., Melchionna, S., and Pierleoni, C., Langmuir, 2008, vol. 24, p. 6067.

    Article  CAS  Google Scholar 

  40. Sterpone, F., Briganti, G., and Pierleoni, C., Langmuir, 2009, vol. 25, p. 8960.

    Article  CAS  Google Scholar 

  41. De Silva, F.L.B., Bogren, D., Soderman, O., Akesson, T., and Jonsson, B., J. Phys. Chem. B, 2002, vol. 106, p. 3515.

    Article  Google Scholar 

  42. Rakitin, A.R. and Pack, G.R., Colloids Surf. A, 2003, vol. 218, p. 265.

    Article  CAS  Google Scholar 

  43. Rakitin, A.R. and Pack, G.R., J. Phys. Chem. B, 2004, vol. 108, p. 2712.

    Article  CAS  Google Scholar 

  44. Yoshii, N. and Okazaki, S., Chem. Phys. Lett., 2006, vol. 425, p. 58.

    Article  CAS  Google Scholar 

  45. Yoshii, N. and Okazaki, S., Chem. Phys. Lett., 2006, vol. 426, p. 66.

    Article  CAS  Google Scholar 

  46. Semashko, O.V., Burov, S.V., and Brodskaya, E.N., Kolloidn. Zh., 2009, vol. 71, p. 829.

    Google Scholar 

  47. Semashko, O.V., Burov, S.V., Mudzhikova, G.V., and Brodskaya, E.N., Vestn. Kazansk. Tekhnol. Univ., 2010, no. 1, p. 132.

  48. Semashko, O.V. and Brodskaya, E.N., Kolloidn. Zh., 2006, vol. 68, p. 674.

    Google Scholar 

  49. Shang, B.Z., Wang, Z., and Larson, R.G., J. Phys. Chem. B, 2008, vol. 112, p. 2888.

    Article  CAS  Google Scholar 

  50. Smirnova, N.A., Vanin, A.A., Safonova, E.A., Pukinsky, I.B., Anufrikov, Y.A., and Makarov, A.L., J. Colloid Interface Sci., 2009, vol. 336, p. 793.

    Article  CAS  Google Scholar 

  51. Lorenz, Ch.D., Hsieh, Ch.-M., Dreiss, C.A., and Lawrence, M.J., Langmuir, 2011, vol. 27, p. 546.

    Article  CAS  Google Scholar 

  52. Burov, S.V. and Piotrovskaya, E.M., Zh. Fiz. Khim., 2006, vol. 80, p. 1434.

    Google Scholar 

  53. Piotrovskaya, E.M., Vanin, A.A., and Smirnova, N.A., Mol. Phys., 2006, vol. 104, p. 3645.

    Article  CAS  Google Scholar 

  54. Yakovlev, D.S. and Boek, E.S., Langmuir, 2007, vol. 23, p. 6588.

    Article  CAS  Google Scholar 

  55. Shah, K., Chiu, P., Jain, M., Fortes, J., Moudgil, B., and Sinnott, S., Langmuir, 2005, vol. 21, p. 5337.

    Article  CAS  Google Scholar 

  56. Nielsen, S.O., Srinivas, G., Lopez, C.F., and Klein, M.L., Phys. Rev. Lett., 2005, vol. 94, p. 228301.

    Article  Google Scholar 

  57. Srinivas, G., Nielsen, S.O., Moore, P.B., and Klein, M.L., J. Am. Chem. Soc., 2006, vol. 128, p. 848.

    Article  CAS  Google Scholar 

  58. Dominguez, H., J. Phys. Chem. B, 2007, vol. 111, p. 4054.

    Article  CAS  Google Scholar 

  59. Dominguez, H., Langmuir, 2009, vol. 25, p. 9006.

    Article  CAS  Google Scholar 

  60. Tummala, N.R. and Striolo, A., J. Phys.Chem., 2008, vol. 112, p. 1987.

    Article  CAS  Google Scholar 

  61. Arai, N., Yasuoka, K., and Zeng, X.C., J. Am. Chem. Soc., 2008, vol. 130, p. 7916.

    Article  CAS  Google Scholar 

  62. Patra, N. and Kral, P., J. Am. Chem. Soc., 2011, vol. 133, p. 6146.

    Article  CAS  Google Scholar 

  63. Marrink, S.J., Tieleman, D.P., and Mark, A.E., J. Phys. Chem. B, 2000, vol. 104, p. 12165.

    Article  CAS  Google Scholar 

  64. Fodi, B. and Hentschke, R., Langmuir, 2000, vol. 16, p. 1626.

    Article  CAS  Google Scholar 

  65. Marrink, S.J. and Mark, A.E., J. Am. Chem. Soc., 2003, vol. 125, p. 15233; Marrink, S.J., De Vries, A.H., and Mark, A.E., J. Phys. Chem. B, 2004, vol. 108, p. 750.

    Article  CAS  Google Scholar 

  66. De Moura, A.F. and Freitas, L.C.G., Chem. Phys. Lett., 2005, vol. 411, p. 474.

    Article  Google Scholar 

  67. Gao, J., Ge, W., Hu, G., and Li, J., Langmuir, 2005, vol. 21, p. 5223.

    Article  CAS  Google Scholar 

  68. Shinto, H., Morisada, S., Miyahara, M., and Higashitani, K., Langmuir, 2004, vol. 20, p. 2017.

    Article  CAS  Google Scholar 

  69. Lazaridis, T., Mallik, B., and Chen, Y., J. Phys. Chem. B, 2005, vol. 109, p. 15098.

    Article  CAS  Google Scholar 

  70. Panagiotopoulos, A.Z., Floriano, M.A., and Kumar, S.K., Langmuir, 2002, vol. 18, p. 2940.

    Article  CAS  Google Scholar 

  71. Cheong, D.W. and Panagiotopoulos, A.Z., Langmuir, 2006, vol. 22, p. 4076.

    Article  CAS  Google Scholar 

  72. Jusufi, A., Sanders, S., Klein, M.L., and Panagiotopoulos, A.Z., J. Phys. Chem. B, 2011, vol. 115, p. 990.

    Article  CAS  Google Scholar 

  73. Burov, S.S., Obrezkov, N.P., Vanin, A.A., and Piotrovskaya, E.M., Kolloidn. Zh., 2008, vol. 70, p. 5.

    Google Scholar 

  74. Darden, T., York, D., and Pedersen, L., J. Chem. Phys., 1993, vol. 98, p. 10089.

    Article  CAS  Google Scholar 

  75. Fujiwara, S., Itoh, T., Hashimoto, M., and Horiuchi, R., J. Chem. Phys., 2009, vol. 130, p. 144901.

    Article  Google Scholar 

  76. Burov, S.V., Vanin, A.A., and Brodskaya, E.N., J. Phys. Chem. B, 2009, vol. 113, p. 10715.

    Article  CAS  Google Scholar 

  77. Sammalkorpi, M., Karttunen, M., and Haataja, M., J. Phys. Chem. B, 2007, vol. 111, p. 11722.

    Article  CAS  Google Scholar 

  78. Sammalkorpi, M., Karttunen, M., and Haataja, M., J. Phys. Chem. B, 2009, vol. 113, p. 5863.

    Article  CAS  Google Scholar 

  79. Sammalkorpi, M., Sanders, S., Panagiotopoulos, A.Z., Karttunen, M., and Haataja, M., J. Phys. Chem. B, 2011, vol. 115, p. 1403.

    Article  CAS  Google Scholar 

  80. Pool, R. and Bolhuis, P.G., Phys. Rev. Lett., 2006, vol. 97, p. 018302.

    Article  Google Scholar 

  81. Pool, R. and Bolhuis, P.G., J. Chem. Phys., 2007, vol. 126, p. 244703.

    Article  Google Scholar 

  82. Sammalkorpi, M., Karttunen, M., and Haataja, M., J. Am. Chem. Soc., 2008, vol. 130, p. 17977.

    Article  CAS  Google Scholar 

  83. Jorge, M., Langmuir, 2008, vol. 24, p. 5714.

    Article  CAS  Google Scholar 

  84. Mohan, G. and Kopelevich, D.I., J. Chem. Phys., 2008, vol. 128, p. 044905.

    Article  Google Scholar 

  85. Bhargava, B.L. and Klein, M.L., J. Phys. Chem. A, 2009, vol. 113, p. 1898.

    Article  CAS  Google Scholar 

  86. Bhargava, B.L. and Klein, M.L., Mol. Phys., 2009, vol. 107, p. 393.

    Article  CAS  Google Scholar 

  87. Arai, N., Yasuoka, K., and Masubuchi, Y., J. Chem. Phys., 2007, vol. 126, p. 244905.

    Article  Google Scholar 

  88. Padding, J.T., Boek, E.S., and Briels, W.J., J. Phys.: Condens. Matter, 2005, vol. 17, p. 3347.

    Article  Google Scholar 

  89. Boek, E.S., Padding, J.T., Anderson, V.J., Briels, W.J., and Crawshaw, J.P., J. Non-Newtonian Fluid Mech., 2007, vol. 146, p. 11.

    Article  CAS  Google Scholar 

  90. Padding, J.T., Boek, E.S., and Briels, W.J., J. Chem. Phys., 2008, vol. 129, p. 074903.

    Article  CAS  Google Scholar 

  91. Wang, Z. and Larson, R.G., J. Phys. Chem. B, 2009, vol. 113, p. 13697.

    Article  CAS  Google Scholar 

  92. Sangwai, A.V. and Sureshkumar, R., Langmuir, 2011, vol. 27, p. 6628.

    CAS  Google Scholar 

  93. Samanta, S.K., Bhattacharya, S., and Maiti, P.K., J. Phys. Chem. B, 2009, vol. 113, p. 13545.

    Article  CAS  Google Scholar 

  94. Wu, R., Deng, M., Kong, B., and Yang, X., J. Phys. Chem. B, 2009, vol. 113, p. 15010.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Additional information

Original Russian Text © E.N. Brodskaya, 2012, published in Kolloidnyi Zhurnal, 2012, Vol. 74, No. 2, pp. 167–186.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Brodskaya, E.N. Computer simulations of micellar systems. Colloid J 74, 154–171 (2012). https://doi.org/10.1134/S1061933X12020020

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1061933X12020020

Keywords

Navigation