A coupled 3-D PNP/ECP model for ion transport in biological ion channels

Zhicheng Yang; T. A. Van Der Straaten; Umberto Ravaioli

A coupled 3-D PNP/ECP model for ion transport in biological ion channels

Zhicheng Yang, T. A. Van Der Straaten, Umberto Ravaioli

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

The use of a 3-D Poisson-Nernst-Planck (PNP) solver in a model for excess chemical potential (ECP) correction, for ion transport in biological ion channels, was investigated. To solve the 3-D system of PNP/ECP equations self-consistently, a decoupled feedback method was used. To test the PNP/ECP model, a simple 'hole-in-wall' problem was considered, consisting of a dielectric slab separating two electrolyte baths containing 1M NaCl under equilibrium conditions. The results show that when there is fixed charge density on the 'channel' walls, the PNP/ECP model shows a significantly lower density of the majority carrier.

Original language	English (US)
Title of host publication	2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts
Pages	135-136
Number of pages	2
State	Published - 2004
Event	2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts - West Lafayette, IN, United States Duration: Oct 24 2004 → Oct 27 2004

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Other	2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts
Country/Territory	United States
City	West Lafayette, IN
Period	10/24/04 → 10/27/04

ASJC Scopus subject areas

Engineering(all)

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Yang, Z, Van Der Straaten, TA & Ravaioli, U 2004, A coupled 3-D PNP/ECP model for ion transport in biological ion channels. in 2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts. pp. 135-136, 2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts, West Lafayette, IN, United States, 10/24/04.

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title = "A coupled 3-D PNP/ECP model for ion transport in biological ion channels",

abstract = "The use of a 3-D Poisson-Nernst-Planck (PNP) solver in a model for excess chemical potential (ECP) correction, for ion transport in biological ion channels, was investigated. To solve the 3-D system of PNP/ECP equations self-consistently, a decoupled feedback method was used. To test the PNP/ECP model, a simple 'hole-in-wall' problem was considered, consisting of a dielectric slab separating two electrolyte baths containing 1M NaCl under equilibrium conditions. The results show that when there is fixed charge density on the 'channel' walls, the PNP/ECP model shows a significantly lower density of the majority carrier.",

author = "Zhicheng Yang and {Van Der Straaten}, {T. A.} and Umberto Ravaioli",

year = "2004",

language = "English (US)",

isbn = "0780386493",

pages = "135--136",

booktitle = "2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts",

note = "2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts ; Conference date: 24-10-2004 Through 27-10-2004",

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T1 - A coupled 3-D PNP/ECP model for ion transport in biological ion channels

AU - Yang, Zhicheng

AU - Van Der Straaten, T. A.

AU - Ravaioli, Umberto

PY - 2004

Y1 - 2004

N2 - The use of a 3-D Poisson-Nernst-Planck (PNP) solver in a model for excess chemical potential (ECP) correction, for ion transport in biological ion channels, was investigated. To solve the 3-D system of PNP/ECP equations self-consistently, a decoupled feedback method was used. To test the PNP/ECP model, a simple 'hole-in-wall' problem was considered, consisting of a dielectric slab separating two electrolyte baths containing 1M NaCl under equilibrium conditions. The results show that when there is fixed charge density on the 'channel' walls, the PNP/ECP model shows a significantly lower density of the majority carrier.

AB - The use of a 3-D Poisson-Nernst-Planck (PNP) solver in a model for excess chemical potential (ECP) correction, for ion transport in biological ion channels, was investigated. To solve the 3-D system of PNP/ECP equations self-consistently, a decoupled feedback method was used. To test the PNP/ECP model, a simple 'hole-in-wall' problem was considered, consisting of a dielectric slab separating two electrolyte baths containing 1M NaCl under equilibrium conditions. The results show that when there is fixed charge density on the 'channel' walls, the PNP/ECP model shows a significantly lower density of the majority carrier.

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M3 - Conference contribution

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BT - 2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts

T2 - 2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts

Y2 - 24 October 2004 through 27 October 2004

ER -

A coupled 3-D PNP/ECP model for ion transport in biological ion channels

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