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Title: Self-assembly and structural relaxation in a model ionomer melt

Abstract

Molecular dynamics simulations are used to understand the self-assembly and structural relaxation in ionomer melts containing less than 10% degree of ionization on the backbone. We study the self-assembly of charged sites and counterions that show structural ordering and agglomeration with a range of structures that can be achieved by changing the dielectric constant of the medium. The intermediate scattering function shows a decoupling of charge and counterion relaxation at longer length scales for only high dielectric constant and at shorter length scales for all dielectric constants. Finally, the slow structural decay of counterions in the strongly correlated ionomer system closely resembles transport properties of semi-flexible polymers.

Authors:
 [1];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1286814
DOE Contract Number:
AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 8
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Goswami, Monojoy, Borreguero, Jose M., and Sumpter, Bobby G. Self-assembly and structural relaxation in a model ionomer melt. United States: N. p., 2015. Web. doi:10.1063/1.4913517.
Goswami, Monojoy, Borreguero, Jose M., & Sumpter, Bobby G. Self-assembly and structural relaxation in a model ionomer melt. United States. doi:10.1063/1.4913517.
Goswami, Monojoy, Borreguero, Jose M., and Sumpter, Bobby G. Thu . "Self-assembly and structural relaxation in a model ionomer melt". United States. doi:10.1063/1.4913517. https://www.osti.gov/servlets/purl/1286814.
@article{osti_1286814,
title = {Self-assembly and structural relaxation in a model ionomer melt},
author = {Goswami, Monojoy and Borreguero, Jose M. and Sumpter, Bobby G.},
abstractNote = {Molecular dynamics simulations are used to understand the self-assembly and structural relaxation in ionomer melts containing less than 10% degree of ionization on the backbone. We study the self-assembly of charged sites and counterions that show structural ordering and agglomeration with a range of structures that can be achieved by changing the dielectric constant of the medium. The intermediate scattering function shows a decoupling of charge and counterion relaxation at longer length scales for only high dielectric constant and at shorter length scales for all dielectric constants. Finally, the slow structural decay of counterions in the strongly correlated ionomer system closely resembles transport properties of semi-flexible polymers.},
doi = {10.1063/1.4913517},
journal = {Journal of Chemical Physics},
number = 8,
volume = 142,
place = {United States},
year = {Thu Feb 26 00:00:00 EST 2015},
month = {Thu Feb 26 00:00:00 EST 2015}
}