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Interfacial Properties of Flexible and Semiflexible Polymers
Author(s) -
Adhikari Narayan Prasad,
Auhl Rolf,
Straube Ekkehard
Publication year - 2002
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(20020301)11:3<315::aid-mats315>3.0.co;2-6
Subject(s) - monte carlo method , surface tension , materials science , stiffness , polymer , virial coefficient , virial theorem , statistical physics , lattice (music) , mechanics , physics , thermodynamics , composite material , mathematics , statistics , quantum mechanics , galaxy , acoustics
Using a continuous space rod‐bead model and an off‐lattice Monte Carlo technique we investigate interfacial properties between two incompatible polymers of different stiffnesses. The interfacial tension is determined by using virial theorem and analyzing the spectrum of capillary waves. Detailed interfacial profiles for segment and chain densities and orientations are obtained. The simulation results agree with mean field approaches for not too large stiffness disparities and show a marked tendency towards a plateau at higher stiffness disparities where the differences to mean field approaches increase.