Incorporation of nonelectrostatic interactions in the Poisson-Boltzmann equation

L. Lue; N. Zoeller; D. Blankschtein

doi:10.1021/la9813376

Incorporation of nonelectrostatic interactions in the Poisson-Boltzmann equation

L. Lue, N. Zoeller, D. Blankschtein

Research output: Contribution to journal › Article › peer-review

Abstract

We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson-Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik-Mansoori-Carnahan-Starling equation of state to model charged hard-sphere systems. This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed.

Original language	English
Pages (from-to)	3726-3730
Number of pages	4
Journal	Langmuir
Volume	15
Issue number	11
DOIs	https://doi.org/10.1021/la9813376
Publication status	Published - 25 May 1999

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title = "Incorporation of nonelectrostatic interactions in the Poisson-Boltzmann equation",

abstract = "We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson-Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik-Mansoori-Carnahan-Starling equation of state to model charged hard-sphere systems. This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed.",

author = "L. Lue and N. Zoeller and D. Blankschtein",

year = "1999",

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doi = "10.1021/la9813376",

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T1 - Incorporation of nonelectrostatic interactions in the Poisson-Boltzmann equation

AU - Lue, L.

AU - Zoeller, N.

AU - Blankschtein, D.

PY - 1999/5/25

Y1 - 1999/5/25

N2 - We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson-Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik-Mansoori-Carnahan-Starling equation of state to model charged hard-sphere systems. This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed.

AB - We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson-Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik-Mansoori-Carnahan-Starling equation of state to model charged hard-sphere systems. This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed.

U2 - 10.1021/la9813376

DO - 10.1021/la9813376

M3 - Article

SN - 1520-5827

VL - 15

SP - 3726

EP - 3730

JO - Langmuir

JF - Langmuir

IS - 11

ER -

Incorporation of nonelectrostatic interactions in the Poisson-Boltzmann equation

Abstract

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