Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell
Lee, JH; Doo, G; Kwon, SH; Choi, S; Kim, HT; Lee, SG
| HERO ID | 4947111 |
|---|---|
| In Press | No |
| Year | 2018 |
| Title | Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell |
| Authors | Lee, JH; Doo, G; Kwon, SH; Choi, S; Kim, HT; Lee, SG |
| Journal | Scientific Reports |
| Volume | 8 |
| Issue | 1 |
| Page Numbers | 10739 |
| 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. |
| Doi | 10.1038/s41598-018-28779-y |
| Pmid | 30013087 |
| Wosid | WOS:000438679100044 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Language Text | English |