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Computer Simulations Of Surfactant Self Assembly

Author

Listed:
  • B. SMIT

    (Shell Research B.V., Koninklijke/Shell-Laboratorium Amsterdam, PO Box 3003, 1003 AA Amsterdam, The Netherlands)

  • P. A. J. HILBERS

    (Shell Research B.V., Koninklijke/Shell-Laboratorium Amsterdam, PO Box 3003, 1003 AA Amsterdam, The Netherlands)

  • K. ESSELINK

    (Shell Research B.V., Koninklijke/Shell-Laboratorium Amsterdam, PO Box 3003, 1003 AA Amsterdam, The Netherlands)

Abstract

A simple oil/water/surfactant model is used to study the self-assembly of surfactants. The model contains only the most obvious elements: oil and water do not mix, and a surfactant is an amphiphilic molecule, i.e. one side of the molecule likes oil but dislikes water, the other side likes water but dislikes oil. Computer simulations on large oil/water/surfactant systems were performed on a network of 400 transputers using a parallel molecular dynamics algorithm. The simulations yield a complete micellar size distribution function. Furthermore, we observe (equilibrium) dynamical processes such as the entering of single surfactants into micelles, single surfactants leaving micelles, the fusion of two micelles, and the slow breakdown of a micelle.

Suggested Citation

  • B. Smit & P. A. J. Hilbers & K. Esselink, 1993. "Computer Simulations Of Surfactant Self Assembly," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 4(02), pages 393-400.
  • Handle: RePEc:wsi:ijmpcx:v:04:y:1993:i:02:n:s0129183193000422
    DOI: 10.1142/S0129183193000422
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