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

Journal Article · Fri Feb 15 00:00:00 EST 2013 · Cement and Concrete Research

DOI:https://doi.org/10.1016/J.CEMCONRES.2012.10.013· OSTI ID:22149367

Arnold, J. ^[1]; Garrabrants, A. ^[1]; Meeussen, J. C.L. ^[2]; Sloot, H.A. van der ^[3]

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1. Vanderbilt University, Department of Civil and Environmental Engineering, Nashville, Tennessee (United States)
2. Nuclear Research and consultancy Group, Radiation and Environment, Petten (Netherlands)
3. Hans van der Sloot Consultancy, Langedijk (Netherlands)

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.

• OSTI ID: 22149367
• Journal Information: Cement and Concrete Research, Vol. 44, Issue Complete; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0008-8846
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ANIONS
CATIONS
CEMENTS
DIFFUSION
DISTRIBUTION
ELECTROCHEMISTRY
WASTE MANAGEMENT