Morphology and Dynamics in Hydroxide-Conducting Polysulfones

Frischknecht, Amalie L.; in ’t Veld, Pieter J.; Kolesnichenko, Igor V.; Arnot, David J.; Lambert, Timothy N.

doi:10.1021/acsapm.1c01798

Morphology and Dynamics in Hydroxide-Conducting Polysulfones

Journal Article · Wed Mar 09 23:00:00 EST 2022 · ACS Applied Polymer Materials

DOI:https://doi.org/10.1021/acsapm.1c01798· OSTI ID:1870467

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Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies
Polymer Physics, BASF SE, Ludwigshafen am Rhein (Germany)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

In alkaline zinc–manganese dioxide batteries, there is a need for selective polymeric separators that have good hydroxide ion conductivity but that prevent the transport of zincate (Zn(OH)₄)^2-. Here we investigate the nanoscale structure and hydroxide transport in two cationic polysulfones that are promising for these separators. We present the synthesis and characterization for a tetraethylammonium-functionalized polysulfone (TEA-PSU) and compare it to our previous work on an N-butylimidazolium-functionalized polysulfone (NBI-PSU). We perform atomistic molecular dynamics (MD) simulations of both polymers at experimentally relevant water contents. The MD simulations show that both polymers develop well phase separated nanoscale water domains that percolate through the polymer. Calculation of the total scattering intensity from the MD simulations reveal weak or nonexistent ionomer peaks at low wave vectors. The lack of an ionomer peak is due to a loss of contrast in the scattering. The small water domains in both polymers, with median diameters on the order of 0.5–0.7 nm, lead to hydroxide and water diffusion constants that are 1–2 orders of magnitude smaller than their values in bulk water. This confinement lowers the conductivity but also may explain the strong exclusion of zincate from the PSU membranes seen experimentally.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Electricity (OE)

Grant/Contract Number:: NA0003525

OSTI ID:: 1870467

Report Number(s):: SAND2022-3908J; 704745

Journal Information:: ACS Applied Polymer Materials, Journal Name: ACS Applied Polymer Materials Journal Issue: 4 Vol. 4; ISSN 2637-6105

Publisher:: ACS PublicationsCopyright Statement

Country of Publication:: United States

Language:: English

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Morphology and Dynamics in Hydroxide-Conducting Polysulfones

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