Phase behavior of symmetric disk-coil macromolecules with stacking interactions
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Alexander-Katz_Phase behavior.pdf
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867.88 KB
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Author(s)
Kim, YongJoo
Alexander-Katz, Alfredo
Date Issued
July 2011
Journal
Journal of Chemical Physics
Publisher
American Institute of Physics
Citation
Kim, YongJoo, and Alfredo Alexander-Katz. Phase Behavior of Symmetric Disk-coil Macromolecules with Stacking Interactions. The Journal of Chemical Physics 135, no. 2 (2011): 024902.
Version
Final published version
Abstract
We investigate using Monte Carlo simulations in the NPT ensemble the self-assembly of disk-coil macromolecules with stacking interactions. The disk-coil molecules are composed of a planar disk that is covalently bonded to a single coil. In addition to commonly used amphiphilic interactions between the disk and coil portion of the molecules, we employ an attractive interaction between central monomers of the disks, which mimics stacking interactions. This additional force induces a preferential axial packing. The phase diagram of this system is complex and depends crucially on the stacking interactions. In particular, we find a variety of new phases that include for this system an ordered lamellar, ordered perforated lamellar, cylinder and ordered cylinder phases in addition to the disordered, lamellar, perforated lamellar, and crystal phases observed previously [Y. Kim and A. Alexander-Katz, J. Chem. Phys. 132, 174901 (2010)]10.1063/1.3407660. The ordered phases show strong tendency of parallel packing of disks. Among them, the ordered cylinder phase exhibits super-aligned structures which could have uses in many organic optoelectronic applications.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1063/1.3607985
