Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell

Abstract In this study, we examined the influence of the dispersion solvent in three dipropylene-glycol/water (DPG/water) mixtures, with DPG contents of 0, 50, and 100 wt%, on ionomer morphology and distribution, using dynamic light scattering (DLS) and molecular-dynamics (MD) simulation techniques....

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Autores principales:	Ji Hye Lee, Gisu Doo, Sung Hyun Kwon, Sungyu Choi, Hee-Tak Kim, Seung Geol Lee
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/d2f3040e7f074800930eb89356eddfdc
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spelling	oai:doaj.org-article:d2f3040e7f074800930eb89356eddfdc2021-12-02T16:08:01ZDispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell10.1038/s41598-018-28779-y2045-2322https://doaj.org/article/d2f3040e7f074800930eb89356eddfdc2018-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-28779-yhttps://doaj.org/toc/2045-2322Abstract In this study, we examined the influence of the dispersion solvent in three dipropylene-glycol/water (DPG/water) mixtures, with DPG contents of 0, 50, and 100 wt%, on ionomer morphology and distribution, using dynamic light scattering (DLS) and molecular-dynamics (MD) simulation techniques. The DLS results reveal that Nafion-ionomer aggregation increases with decreasing DPG content of the solvent. Increasing the proportion of water in the solvent also led to a gradual decrease in the radius of gyration (Rg) of the Nafion ionomer due to its strong backbone hydrophobicity. Correspondingly, MD simulations predict Nafion-ionomer solvation energies of −147 ± 9 kcal/mol in water, −216 ± 21 kcal/mol in the DPG/water mixture, and −444 ± 9 kcal/mol in DPG. These results suggest that higher water contents in mixed DPG/water solvents result in increased Nafion-ionomer aggregation and the subsequent deterioration of its uniform dispersion in the solvent. Moreover, radial distribution functions (RDFs) reveal that the (-CF2CF2-) backbones of the Nafion ionomer are primarily enclosed by DPG molecules, whereas the sulfonate groups (SO3 −) of its side chains mostly interact with water molecules.Ji Hye LeeGisu DooSung Hyun KwonSungyu ChoiHee-Tak KimSeung Geol LeeNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Ji Hye Lee Gisu Doo Sung Hyun Kwon Sungyu Choi Hee-Tak Kim Seung Geol Lee Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
description	Abstract In this study, we examined the influence of the dispersion solvent in three dipropylene-glycol/water (DPG/water) mixtures, with DPG contents of 0, 50, and 100 wt%, on ionomer morphology and distribution, using dynamic light scattering (DLS) and molecular-dynamics (MD) simulation techniques. The DLS results reveal that Nafion-ionomer aggregation increases with decreasing DPG content of the solvent. Increasing the proportion of water in the solvent also led to a gradual decrease in the radius of gyration (Rg) of the Nafion ionomer due to its strong backbone hydrophobicity. Correspondingly, MD simulations predict Nafion-ionomer solvation energies of −147 ± 9 kcal/mol in water, −216 ± 21 kcal/mol in the DPG/water mixture, and −444 ± 9 kcal/mol in DPG. These results suggest that higher water contents in mixed DPG/water solvents result in increased Nafion-ionomer aggregation and the subsequent deterioration of its uniform dispersion in the solvent. Moreover, radial distribution functions (RDFs) reveal that the (-CF2CF2-) backbones of the Nafion ionomer are primarily enclosed by DPG molecules, whereas the sulfonate groups (SO3 −) of its side chains mostly interact with water molecules.
format	article
author	Ji Hye Lee Gisu Doo Sung Hyun Kwon Sungyu Choi Hee-Tak Kim Seung Geol Lee
author_facet	Ji Hye Lee Gisu Doo Sung Hyun Kwon Sungyu Choi Hee-Tak Kim Seung Geol Lee
author_sort	Ji Hye Lee
title	Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
title_short	Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
title_full	Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
title_fullStr	Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
title_full_unstemmed	Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
title_sort	dispersion-solvent control of ionomer aggregation in a polymer electrolyte membrane fuel cell
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/d2f3040e7f074800930eb89356eddfdc
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Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell

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