Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination
Abstract
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 (δh) 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.
- Publication Date:
- Research Org.:
- Texas A & M Univ., College Station, TX (United States). Texas A & M Engineering Experiment Station
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1871741
- Alternate Identifier(s):
- OSTI ID: 1831146
- Grant/Contract Number:
- SC0014006
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Macromolecules
- Additional Journal Information:
- Journal Volume: 53; Journal Issue: 18; Journal ID: ISSN 0024-9297
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; solubility; batteries; polymers; electrodes; organic compounds; solvents; radical polymer; organic battery
Citation Formats
Easley, Alexandra D., Vukin, Lillian M., Flouda, Paraskevi, Howard, Dylan L., Pena, Jose L., and Lutkenhaus, Jodie L. Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination. United States: N. p., 2020.
Web. doi:10.1021/acs.macromol.0c01739.
Easley, Alexandra D., Vukin, Lillian M., Flouda, Paraskevi, Howard, Dylan L., Pena, Jose L., & Lutkenhaus, Jodie L. Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination. United States. https://doi.org/10.1021/acs.macromol.0c01739
Easley, Alexandra D., Vukin, Lillian M., Flouda, Paraskevi, Howard, Dylan L., Pena, Jose L., and Lutkenhaus, Jodie L. Fri .
"Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination". United States. https://doi.org/10.1021/acs.macromol.0c01739. https://www.osti.gov/servlets/purl/1871741.
@article{osti_1871741,
title = {Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination},
author = {Easley, Alexandra D. and Vukin, Lillian M. and Flouda, Paraskevi and Howard, Dylan L. and Pena, Jose L. and Lutkenhaus, Jodie L.},
abstractNote = {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 (δh) 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.},
doi = {10.1021/acs.macromol.0c01739},
journal = {Macromolecules},
number = 18,
volume = 53,
place = {United States},
year = {Fri Sep 04 00:00:00 EDT 2020},
month = {Fri Sep 04 00:00:00 EDT 2020}
}
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