Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination

Easley, Alexandra D.; Vukin, Lillian M.; Flouda, Paraskevi; Howard, Dylan L.; Pena, Jose L.; Lutkenhaus, Jodie L.

doi:10.1021/acs.macromol.0c01739

Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination

Journal Article · Fri Sep 04 00:00:00 EDT 2020 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.0c01739· OSTI ID:1831146

Easley, Alexandra D. ^[1]; Vukin, Lillian M. ^[2]; Flouda, Paraskevi ^[2]; Howard, Dylan L. ^[2]; Pena, Jose L. ^[2]; ^[2]

Texas A & M Univ., College Station, TX (United States); Texas A&M University
Texas A & M Univ., College Station, TX (United States)

Redox-active polymers such as macromolecular nitroxide radicals have been studied as electrode materials for organic batteries and electronics. Polymer–solvent interactions are essential to processing and device performance, but macromolecular nitroxide radical–solvent interactions are currently not well described. In this work, the Hildebrand and Hansen solubility parameters of poly(2,2,6,6-tetramethylpiperidinyloxy-4-yl methacrylate) (PTMA), oxidized PTMA (PTMA⁺), and PTMA’s precursor (PTMPM) are determined using both experimental and group contribution methods for the first time. This work indicates that the hydrogen-bonding Hansen solubility parameter (δ_h) and the solubility sphere radii (R) provide the best prediction of the macromolecular radical’s interaction with solvents. From these solubility parameters, the group contribution values for the nitroxide and oxoammonium cation were then calculated. It is shown that this information allows for the prediction of polymer–solvent interactions for other nitroxide-based macromolecular radicals. Lastly, the discovered solubility parameters are used to predict PTMA electrode formulations for batteries that outperform controls.

View Accepted Manuscript (DOE)

Research Organization:: Texas A & M Univ., College Station, TX (United States). Texas A & M Engineering Experiment Station

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0014006

OSTI ID:: 1831146

Alternate ID(s):: OSTI ID: 1802541
OSTI ID: 1871741

Journal Information:: Macromolecules, Journal Name: Macromolecules Journal Issue: 18 Vol. 53; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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