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Partitioning of Semiflexible Macromolecules into a Slit in Good Solvents
Author(s) -
Škrinárová Zuzana,
Cifra Peter
Publication year - 2001
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20010601)10:5<523::aid-mats523>3.0.co;2-w
Subject(s) - persistence length , scaling , monte carlo method , rod , radius of gyration , materials science , chemistry , statistical physics , chemical physics , physics , polymer , mathematics , geometry , composite material , medicine , statistics , alternative medicine , pathology
We investigate by Monte Carlo simulations the partitioning of semiflexible chains into slits the sizes of which are in the range of coil dimensions. The investigated chains have variable rigidities within the coil regime not reaching the rigid rod limit. Noticeable deviations of the commonly used approximate persistence length from its exact counterpart are reported. The partitioning of semiflexible chains in the reduced plot of partitioning coefficient versus confinement is located between the results for the partitioning of a sphere and for a rigid rod. At large confinement, and for the most rigid chains investigated, the scaling law for partitioning approaches that of the rigid rods. We advocate presenting results based both on the reduced and absolute plots for drawing the correct conclusions. On increasing concentration, it is apparent that the differences in partitioning resulting from variable chain rigidity appear only in the dilute solution. At higher concentrations the differences vanish. The weak‐to‐strong penetration transition on an increase of concentration is explained using the scaling approach by the change of the mobility unit from the coil dimension to a concentration correlation length, similarly to that of flexible chains. The microscopic picture of partitioning represented by various concentration profiles in the slit leads to the conclusion that stiffer chains are able to fill the depletion layer at the walls more readily.