Self-assembly and structural relaxation in a model ionomer melt

Goswami, Monojoy; Borreguero, Jose M.; Sumpter, Bobby G.

doi:10.1063/1.4913517

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

Journal Article · Thu Feb 26 00:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4913517· OSTI ID:1286814

Goswami, Monojoy ^[1]; Borreguero, Jose M. ^[2]; Sumpter, Bobby G. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Material Sciences and Computer Science and Mathematics Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Data Analysis & Visualization Division

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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725; DEAC05-00OR22725

OSTI ID:: 1286814

Alternate ID(s):: OSTI ID: 1228554

Journal Information:: Journal of Chemical Physics, Vol. 142, Issue 8; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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