Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

J. Arnold; D. S. Kosson; A. Garrabrants; J. C.L. Meeussen; H. A. Van Der Sloot

doi:10.1016/j.cemconres.2012.10.013

Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

J. Arnold
, D. S. Kosson
, A. Garrabrants
, J. C.L. Meeussen
, H. A. Van Der Sloot

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

13 Scopus citations

Abstract

A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson- Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

Original language	English
Pages (from-to)	8-17
Number of pages	10
Journal	Cement and Concrete Research
Volume	44
DOIs	https://doi.org/10.1016/j.cemconres.2012.10.013
State	Published - 2013
Externally published	Yes

Keywords

Blended cement (D)
Diffusion (C)
Electrochemical properties (C)
Pore size distribution (B)
Waste management (E)

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10.1016/j.cemconres.2012.10.013

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title = "Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials",

abstract = "A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson- Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.",

keywords = "Blended cement (D), Diffusion (C), Electrochemical properties (C), Pore size distribution (B), Waste management (E)",

author = "J. Arnold and Kosson, \{D. S.\} and A. Garrabrants and Meeussen, \{J. C.L.\} and \{Van Der Sloot\}, \{H. A.\}",

year = "2013",

doi = "10.1016/j.cemconres.2012.10.013",

language = "English",

volume = "44",

pages = "8--17",

journal = "Cement and Concrete Research",

issn = "0008-8846",

publisher = "Elsevier",

}

TY - JOUR

T1 - Solution of the nonlinear Poisson-Boltzmann equation

T2 - Application to ionic diffusion in cementitious materials

AU - Arnold, J.

AU - Kosson, D. S.

AU - Garrabrants, A.

AU - Meeussen, J. C.L.

AU - Van Der Sloot, H. A.

PY - 2013

Y1 - 2013

N2 - A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson- Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

AB - A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson- Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

KW - Blended cement (D)

KW - Diffusion (C)

KW - Electrochemical properties (C)

KW - Pore size distribution (B)

KW - Waste management (E)

UR - https://www.scopus.com/pages/publications/84881169150

U2 - 10.1016/j.cemconres.2012.10.013

DO - 10.1016/j.cemconres.2012.10.013

M3 - Article

AN - SCOPUS:84881169150

SN - 0008-8846

VL - 44

SP - 8

EP - 17

JO - Cement and Concrete Research

JF - Cement and Concrete Research

ER -

Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

Abstract

Keywords

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