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Conformation Of Amphiphilic Molecules Grafted Or Adsorbed On A Solid Substrate: Monte Carlo Simulation

Author

Listed:
  • DEBASHISH CHOWDHURY

    (Institut für Theoretische Physik, Universität zu Köln, Zülpicher Strasse 77, D-50923 Köln, Germany)

  • AMERICO T. BERNARDES

    (Institut für Theoretische Physik, Universität zu Köln, Zülpicher Strasse 77, D-50923 Köln, Germany)

  • DIETRICH STAUFFER

    (Institut für Theoretische Physik, Universität zu Köln, Zülpicher Strasse 77, D-50923 Köln, Germany)

Abstract

We develop a novel algorithm for Monte Carlo (MC) simulation of twomicroscopicmodels for monolayers of amphiphilic molecules; in the first model polar heads of the amphiphiles aregraftedon to a solid substrate whereas in the second the polar heads areadsorbedon a solid substrate. In both models the hydrophobic tails are in the air above the substrate. Carrying out extensive MC simulations of these models, we compute several quantities which characterise various aspects of the conformations of the amphiphiles. We compare our results with the corresponding results of earlier MC and molecular dynamics simulations as well as laboratory experiments.

Suggested Citation

  • Debashish Chowdhury & Americo T. Bernardes & Dietrich Stauffer, 1996. "Conformation Of Amphiphilic Molecules Grafted Or Adsorbed On A Solid Substrate: Monte Carlo Simulation," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 7(01), pages 73-88.
    • Handle: RePEc:wsi:ijmpcx:v:07:y:1996:i:01:n:s0129183196000089
    DOI: 10.1142/S0129183196000089
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