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

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 app...

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Bibliographic Details
Published in:Cement and concrete research 2013-02, Vol.44 (Complete), p.8-17
Main Authors: Arnold, J., Kosson, D.S., Garrabrants, A., Meeussen, J.C.L., van der Sloot, H.A.
Format: Article
Language:English
Subjects:
ANIONS
Applied sciences
Blended cement (D)
Buildings. Public works
CATIONS
Cement concrete constituents
CEMENTS
Concretes. Mortars. Grouts
DIFFUSION
Diffusion (C)
DISTRIBUTION
Electrochemical properties (C)
ELECTROCHEMISTRY
Exact sciences and technology
General (composition, classification, performance, standards, patents, etc.)
Materials
MATERIALS SCIENCE
Pore size distribution (B)
Properties and test methods
Properties of anhydrous and hydrated cement, test methods
Strength of materials (elasticity, plasticity, buckling, etc.)
Structural analysis. Stresses
WASTE MANAGEMENT
Waste management (E)
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Summary: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.
ISSN:0008-8846
1873-3948
DOI:10.1016/j.cemconres.2012.10.013