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

Scientific Reports
Ji Hye LeeSeung Geol Lee

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.

References

Mar 1, 1985·Physical Review A: General Physics·W G Hoover
Dec 15, 1996·Physical Review. B, Condensed Matter·J P PerdewY Wang
Nov 20, 2001·Nature·B C Steele, A Heinzel
Feb 27, 2014·Physical Chemistry Chemical Physics : PCCP·Y S KimC M Johnston
May 8, 2014·The Journal of Physical Chemistry. B·Tsuyoshi YamaguchiShinobu Koda

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Citations

Feb 8, 2020·Science·F Pelayo García de ArquerEdward H Sargent
Oct 30, 2020·Nanomaterials·Natalia ŁopuszyńskaWładysław P Węglarz
Nov 16, 2021·Physical Chemistry Chemical Physics : PCCP·Nicholas MichelarakisFrauke Gräter
Dec 28, 2021·The Journal of Physical Chemistry. B·Yasin Mehdizadeh ChellehbariSohrab Zendehboudi

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Methods Mentioned

BETA
nuclear
scanning
X-ray
dynamic light scattering

Software Mentioned

LAMMPS )
AA
OPLS

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