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Title: Phase Behavior of a Single Structured Ionomer Chain in Solution

Structured polymers offer a means to tailor transport pathways within mechanically stable manifolds. Here we examine the building block of such a membrane, namely a single large pentablock co-polymer that consist of a center block of a randomly sulfonated polystyrene, designed for transport, tethered to poly-ethylene-r-propylene and end-capped by poly-t-butyl styrene, for mechanical stability,using molecular dynamics simulations. The polymer structure in a cyclohexane-heptane mixture, a technologically viable solvent, and in water, a poor solvent for all segments and a ubiquitous substance is extracted. In all solvents the pentablock collapsed into nearly spherical aggregates where the ionic block is segregated. In hydrophobic solvents, the ionic block resides in the center, surrounded by swollen intermix of flexible and end blocks. In water all blocks are collapsed with the sulfonated block residing on the surface. Our results demonstrate that solvents drive different local nano-segregation, providing a gateway to assemble membranes with controlled topology.
Authors:
 [1] ;  [1] ;  [1] ;  [2]
  1. Clemson Univ., SC (United States). Dept. of Chemistry
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
OSTI Identifier:
1182990
Report Number(s):
SAND--2014-15452J
Journal ID: ISSN 1022-1344; 533843
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Macromolecular Theory and Simulations
Additional Journal Information:
Journal Volume: 23; Journal Issue: 9; Journal ID: ISSN 1022-1344
Publisher:
Wiley
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE