pith:VC6DVLPL
Simulation Study of Ion Diffusion in Charged Nanopores with Anchored Terminal Groups
Maximal axial ion diffusion occurs when grafted sidechain length is tuned so that the chains extend roughly one-third of the way to the pore center.
arxiv:1705.00131 v1 · 2017-04-29 · cond-mat.soft
Record completeness
Claims
The maximal ion diffusion has a linear dependence on the number of sidechain monomers... attained if the effective length of the sidechain extension into the pore center (measured as twice the gyration radius of the sidechain with the Flory exponent 1/4) is about 1/3 of the pore radius.
The coarse-grained united-atom model with implicit or simplified water and fixed hydrophobic pore walls faithfully reproduces the competition between side-chain conformation, ion distribution, and water structuring that controls axial diffusion.
Ion axial diffusion in 2-3.7 nm hydrophobic nanopores is maximized by medium-length grafted sidechains whose effective extension is roughly one-third the pore radius, producing a linear dependence on monomer count and a smooth hollow-cylinder ion density.
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Receipt and verification
| First computed | 2026-05-18T00:45:21.371647Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519 (pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
a8bc3aadebbe275e06fe9c8a1e8c12ca33c5f97ad4ef993038dcb6d410aae714
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curl -sH 'Accept: application/ld+json' https://pith.science/pith/VC6DVLPLXYTV4BX6TSFB5DASZI \
| jq -c '.canonical_record' \
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Canonical record JSON
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