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. 2018 Nov 10;10(11):1245. doi: 10.3390/polym10111245

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© 2018 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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The instant configurations of a single periodic cell of the SWCNT-PI nanocomposites based on aBPDA-P3 (top), ODPA-P3 (middle), and BPDA-P3 (bottom) after 3 and 19 microseconds of simulation. The periodic boundary conditions were removed and polymer chains are drawn continuously to show the conformation of PI chains in each system. For the systems where polymer chains are unfolded and oriented, two additional periodic images of SWCNT are shown which are in contact with the PI chains depicted. Each polymer chain is shown in its own color. The SWCNT is shown in yellow on all the snapshots.