FORCES BY AND ON A POLYMER GRAFTED TO A REPULSIVE WALL

Jens Odenheimer (), Dieter W. Heermann () and Michael Brill ()
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Jens Odenheimer: Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, D-69120 Heidelberg, Germany
Dieter W. Heermann: Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, D-69120 Heidelberg, Germany
Michael Brill: Institut für Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany

International Journal of Modern Physics C (IJMPC), 2005, vol. 16, issue 10, 1561-1575

Abstract: We investigate a self-avoiding polymer chain anchored with one end at a hard wall. The chains are modeled using the continuous backbone mass model. The sampling of the conformations is done by molecular dynamics for chains of various sizes. Presented are results for several different interesting situations. We have investigated the pressure that grafted chains of various sizes exert on the wall and find good agreement with the theory, if the theory is extended to the self-avoiding case using the standard scaling laws. Force-elongation simulations are compared to polymer theory and the partition function for a grafted ideal chain is explicitly calculated. Again we find good agreement with the theory.

Keywords: Grafted polymers; computer simulation; molecular dynamics; force-elongation behavior; pressure; 82.35.Gh; 82.35.Lr (search for similar items in EconPapers)
Date: 2005
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DOI: 10.1142/S0129183105008151

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