Bayesian sparse modeling for interpretable prediction of hydroxide ion conductivity in anion-conductive polymer membranes
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866908378878443520 |
|---|---|
| author | Murakami, Ryo Miyatake, Kenji Mahmoud, Ahmed Mohamed Ahmed Yoshikawa, Hideki Nagata, Kenji |
| author_facet | Murakami, Ryo Miyatake, Kenji Mahmoud, Ahmed Mohamed Ahmed Yoshikawa, Hideki Nagata, Kenji |
| contents | Anion-conductive polymer membranes have attracted considerable attention as solid electrolytes for alkaline fuel cells and electrolysis cells. Their hydroxide ion conductivity varies depending on factors such as the type and distribution of quaternary ammonium groups, as well as the structure and connectivity of hydrophilic and hydrophobic domains. In particular, the size and connectivity of hydrophilic domains significantly influence the mobility of hydroxide ions; however, this relationship has remained largely qualitative. In this study, we calculated the number of key constituent elements in the hydrophilic and hydrophobic units based on the copolymer composition, and investigated their relationship with hydroxide ion conductivity by using Bayesian sparse modeling. As a result, we successfully identified composition-derived features that are critical for accurately predicting hydroxide ion conductivity. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_19044 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Bayesian sparse modeling for interpretable prediction of hydroxide ion conductivity in anion-conductive polymer membranes Murakami, Ryo Miyatake, Kenji Mahmoud, Ahmed Mohamed Ahmed Yoshikawa, Hideki Nagata, Kenji Soft Condensed Matter Applications Machine Learning Anion-conductive polymer membranes have attracted considerable attention as solid electrolytes for alkaline fuel cells and electrolysis cells. Their hydroxide ion conductivity varies depending on factors such as the type and distribution of quaternary ammonium groups, as well as the structure and connectivity of hydrophilic and hydrophobic domains. In particular, the size and connectivity of hydrophilic domains significantly influence the mobility of hydroxide ions; however, this relationship has remained largely qualitative. In this study, we calculated the number of key constituent elements in the hydrophilic and hydrophobic units based on the copolymer composition, and investigated their relationship with hydroxide ion conductivity by using Bayesian sparse modeling. As a result, we successfully identified composition-derived features that are critical for accurately predicting hydroxide ion conductivity. |
| title | Bayesian sparse modeling for interpretable prediction of hydroxide ion conductivity in anion-conductive polymer membranes |
| topic | Soft Condensed Matter Applications Machine Learning |
| url | https://arxiv.org/abs/2505.19044 |