Stretching tethered polymer chains: density functional approach

We propose application of density functional theory to calculate the force acting on a selected segment of a tethered polymer chain that leads to stretching the chain. The density functional allows one to determine the effects due to the presence of other chains and solvent molecules. For high and m...

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Veröffentlicht in:The Journal of chemical physics 2013-05, Vol.138 (20), p.204707-204707
Hauptverfasser: Borówko, M, Rżysko, W, Sokołowski, S, Sokołowska, Z, Usatenko, Z
Format: Artikel
Sprache:eng
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Zusammenfassung:We propose application of density functional theory to calculate the force acting on a selected segment of a tethered polymer chain that leads to stretching the chain. The density functional allows one to determine the effects due to the presence of other chains and solvent molecules. For high and moderate solvent densities the plot of the force versus the distance of the segment from the surface exhibits oscillatory behavior that has not been predicted by other approaches.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4807086