dorsal/arxiv
View SchemaModel Channel Ion Currents in NaCl - SPC/E Solution with Applied-Field Molecular Dynamics
| Authors | Paul S. Crozier, Douglas Henderson, Richard L. Rowley, David D. Busath |
|---|---|
| Categories | |
| ArXiv ID | physics/0110016 |
| URL | https://arxiv.org/abs/physics/0110016 |
| DOI | 10.1016/S0006-3495(01)75946-2 |
Abstract
Using periodic boundary conditions and a constant applied field, we have simulated current flow through an 8.125 Angstrom internal diameter, rigid, atomistic channel with polar walls in a rigid membrane using explicit ions and SPC/E water. Channel and bath currents were computed from ten 10-ns trajectories for each of 10 different conditions of concentration and applied voltage. An electric field was applied uniformly throughout the system to all mobile atoms. On average, the resultant net electric field falls primarily across the membrane channel, as expected for two conductive baths separated by a membrane capacitance. The channel is rarely occupied by more than one ion. Current-voltage relations are concentration-dependent and superlinear at high concentrations.
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"date_created": "2026-03-02T18:00:36.344000Z",
"date_modified": "2026-03-02T18:00:36.344000Z",
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"abstract": "Using periodic boundary conditions and a constant applied field, we have\nsimulated current flow through an 8.125 Angstrom internal diameter, rigid,\natomistic channel with polar walls in a rigid membrane using explicit ions and\nSPC/E water. Channel and bath currents were computed from ten 10-ns\ntrajectories for each of 10 different conditions of concentration and applied\nvoltage. An electric field was applied uniformly throughout the system to all\nmobile atoms. On average, the resultant net electric field falls primarily\nacross the membrane channel, as expected for two conductive baths separated by\na membrane capacitance. The channel is rarely occupied by more than one ion.\nCurrent-voltage relations are concentration-dependent and superlinear at high\nconcentrations.",
"arxiv_id": "physics/0110016",
"authors": [
"Paul S. Crozier",
"Douglas Henderson",
"Richard L. Rowley",
"David D. Busath"
],
"categories": [
"physics.bio-ph",
"physics.chem-ph"
],
"doi": "10.1016/S0006-3495(01)75946-2",
"title": "Model Channel Ion Currents in NaCl - SPC/E Solution with Applied-Field Molecular Dynamics",
"url": "https://arxiv.org/abs/physics/0110016"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "35dde5c3-a83f-4048-bc9c-a6dedec1c4f4",
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"type": "Model",
"variant": "snapshot-2026-03-01",
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