This title appears in the Scientific Report :
2021
Please use the identifier:
http://hdl.handle.net/2128/30558 in citations.
Please use the identifier: http://dx.doi.org/10.3390/polym13142270 in citations.
Blends of Semiflexible Polymers: Interplay of Nematic Order and Phase Separation
Blends of Semiflexible Polymers: Interplay of Nematic Order and Phase Separation
Mixtures of semiflexible polymers with a mismatch in either their persistence lengths or their contour lengths are studied by Density Functional Theory and Molecular Dynamics simulation. Considering lyotropic solutions under good solvent conditions, the mole fraction and pressure is systematically v...
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Personal Name(s): | Milchev, Andrey |
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Egorov, Sergei A. / Midya, Jiarul / Binder, Kurt / Nikoubashman, Arash (Corresponding author) | |
Contributing Institute: |
Theorie der Weichen Materie und Biophysik; IAS-2 Theoretische Physik der Lebenden Materie; IBI-5 |
Published in: | Polymers, 13 (2021) 14, S. 2270 |
Imprint: |
Basel
MDPI
2021
|
PubMed ID: |
34301028 |
DOI: |
10.3390/polym13142270 |
Document Type: |
Journal Article |
Research Program: |
Information Processing in Distributed Systems |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.3390/polym13142270 in citations.
Mixtures of semiflexible polymers with a mismatch in either their persistence lengths or their contour lengths are studied by Density Functional Theory and Molecular Dynamics simulation. Considering lyotropic solutions under good solvent conditions, the mole fraction and pressure is systematically varied for several cases of bending stiffness κ (the normalized persistence length) and chain length N. For binary mixtures with different chain length (i.e., NA=16, NB=32 or 64) but the same stiffness, isotropic-nematic phase coexistence is studied. For mixtures with the same chain length (N=32) and large stiffness disparity (κB/κA=4.9 to 8), both isotropic-nematic and nematic-nematic unmixing occur. It is found that the phase diagrams may exhibit a triple point or a nematic-nematic critical point, and that coexisting phases differ appreciably in their monomer densities. The properties of the two types of chains (nematic order parameters, chain radii, etc.) in the various phases are studied in detail, and predictions on the (anisotropic) critical behavior near the critical point of nematic-nematic unmixing are made |