pith:5MDXVC2E
Classification of interfacial water governed by water-polymer interactions in hydrated polymers: A molecular dynamics simulation study of ethylene-based and acrylate polymers
Molecular dynamics simulations classify seven polymers into three hydration types based on water-polymer interactions.
arxiv:2603.25198 v2 · 2026-03-26 · cond-mat.soft
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Claims
These results clarify three hydration types: highly hydrated (PVA, PHEA, and PHEMA), hydrophobic (PMEMA and PBA), and flexibly hydrated (PEG and PMEA), and provide a molecular-level framework for interpreting interfacial water governed by water-polymer interactions.
The classification and dynamical distinctions rest on the assumption that the chosen molecular dynamics force fields and simulation protocols accurately reproduce the real hydrogen-bond lifetimes, chain fluctuations, and water localization in these polymers.
MD simulations classify hydrated polymers into highly hydrated, hydrophobic, and flexibly hydrated types using Tg dependence, chain fluctuations, HB lifetimes, and van Hove functions.
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Receipt and verification
| First computed | 2026-05-29T01:05:07.996871Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
eb077a8b4405d424e82b805f216bf9cb374361ccb530537fb608520bc383f868
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Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/5MDXVC2EAXKCJ2BLQBPSC27ZZM \
| jq -c '.canonical_record' \
| python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: eb077a8b4405d424e82b805f216bf9cb374361ccb530537fb608520bc383f868
Canonical record JSON
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