Water Sorption and Transport Properties of Polymer Electrolyte Membranes: New Insights from Theory
Bibliographic record
Abstract
Pertinent polymer electrolyte membranes (PEM) channel protons through random networks of water-filled pores. Their operation hinges on sufficient amounts of water for proton conduction. This requirement affects structure and properties on > 6 scales. Theoretical research on PEM employs a hierarchy of physical models to address these multiscale challenges. The first part of this contribution focuses on recent progress in ab initio calculations of structural correlations and proton dynamics at dense interfacial arrays of protogenic surface groups. These results have vital implications for the design of PEM that could attain high proton conductivity at minimal hydration. The second part explores the realms of equilibrium and dynamic water sorption and swelling of PEM. The outlined approaches in modeling provide capabilities to predict the membrane response to changing external conditions and to extract parameters of bulk water transport in PEM and vaporization exchange at the membrane surfaces from measured water fluxes through the membrane.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.002 |
| Scholarly communication | 0.001 | 0.003 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".