@article{oai:repo.qst.go.jp:00084709,
 author = {Shun, Okushima and Shin, Hasegawa and Kawakatsu, Toshihiro and Yasunari, Maekawa and Shun, Okushima and Shin, Hasegawa and Yasunari, Maekawa},
 journal = {Polymer},
 month = {Sep},
 note = {A coarse-grained molecular dynamics method is applied to the structural analysis of the amorphous region of a polymer electrolyte membrane (PEM) comprising an ethylene-co-tetrafluoroethylene (ETFE), poly(styrene sulfonic acid) (PSSA), and water. The simulated PEM structures reproduce two phase-separated structures comprising hydrophobic ETFE and hydrophilic PSSA/water. The X-ray scattering intensity calculated from the simulation data is consistent with that in the experiment. Both scattering intensity profiles show Porod's law in the lower-q region and exhibit a shoulder peak in the higher-q region, originating from the interface between the hydrophobic/hydrophilic phases and derived from a correlation between sulfonic acid groups, respectively. From an analysis using structure factors, it is shown that there is a phase-separated structure between polystyrene and water in the hydrophilic region. Radial distribution functions show hydrophobic interaction between the benzene unit in the PSSA and a unit in ETFE and miscibility between a sulfonic acid group and water.},
 title = {Coarse-grained molecular dynamics simulation to reproduce phase-separated structures in graft-type polymer electrolyte membranes},
 volume = {230},
 year = {2021}
}