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pith:2017:VC6DVLPLXYTV4BX6TSFB5DASZI
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Simulation Study of Ion Diffusion in Charged Nanopores with Anchored Terminal Groups

Elshad Allahyarov, Hartmut L\"owen, Philip L. Taylor

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

1 Bitcoin timestamp
2 Internet Archive
Author claim 1 verified · sign in to claim
Elshad Allahyarov orcid verified
4 Citations open
5 Replications open

Claims

C1strongest claim

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.

C2weakest assumption

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.

C3one line summary

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.

Formal links

1 machine-checked theorem link

Receipt and verification
First computed2026-05-18T00:45:21.371647Z
Builderpith-number-builder-2026-05-17-v1
SignaturePith Ed25519 (pith-v1-2026-05) · public key
Schemapith-number/v1.0

Canonical hash

a8bc3aadebbe275e06fe9c8a1e8c12ca33c5f97ad4ef993038dcb6d410aae714

Aliases

arxiv: 1705.00131 · arxiv_version: 1705.00131v1 · doi: 10.48550/arxiv.1705.00131
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Canonical record JSON
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    "submitted_at": "2017-04-29T05:28:53Z",
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