Multiphase modelling of ionic transport in cementitious materials with surface charges

Abstract This paper presents a two-dimensional, two-phase ionic transport model with a surface charge at solid–liquid interfaces. The present model is applied to investigate the effect of surface charges at the solid–liquid interface on the ionic transport in a cement paste when it is subjected to an externally applied electric field. The surface charge in the present model is considered by modifying the Nernst–Planck equation in which the electrostatic potential is dependent not only on the externally applied electric field but also on the dissimilar diffusivity of different ionic species including the surface charges. The coupled transport equations of individual ionic species are solved numerically using a finite element method built in commercial software COMSOL. Some important features about the effect of surface charge on the concentration distribution, migration speed and flux of individual ionic species are discussed.

[1]  Marta Castellote,et al.  Measurement of ageing effect on chloride diffusion coefficients in cementitious matrices , 2011 .

[2]  Ravindra K. Dhir,et al.  Prediction of total chloride content profile and concentration/time-dependent diffusion coefficients for concrete , 1998 .

[3]  O. Amiri,et al.  Shortcomings of geometrical approach in multi-species modelling of chloride migration in cement-based materials , 2008 .

[4]  O. Amiri,et al.  Study of electrical double layer effect on chloride transport in unsaturated concrete , 2014 .

[5]  Mickaël Thiery,et al.  Prediction of chloride binding isotherms of cementitious materials by analytical model or numerical inverse analysis , 2012 .

[6]  Dave Easterbrook,et al.  A three-phase, multi-component ionic transport model for simulation of chloride penetration in concrete , 2015 .

[7]  C. Appelo,et al.  Multicomponent diffusion modeling in clay systems with application to the diffusion of tritium, iodide, and sodium in Opalinus Clay. , 2007, Environmental science & technology.

[8]  Chung‐Chia Yang,et al.  Relationship between Migration Coefficient of Chloride Ions and Charge Passed in Steady State , 2004 .

[9]  C. Page.  Mechanism of corrosion protection in reinforced concrete marine structures , 1975, Nature.

[10]  Ki Yong Ann,et al.  Chloride threshold level for corrosion of steel in concrete , 2007 .

[11]  C. Page,et al.  Computer simulation of ionic migration during electrochemical chloride extraction from hardened concrete , 1996 .

[12]  Katrien Audenaert,et al.  On the time dependency of the chloride migration coefficient in concrete , 2010 .

[13]  G. Glass,et al.  The presentation of the chloride threshold level for corrosion of steel in concrete , 1997 .

[14]  Nick R. Buenfeld,et al.  Computational investigation of capillary absorption in concrete using a three-dimensional mesoscale approach , 2014 .

[15]  S. Lorente,et al.  Chloride diffusion coefficient: A comparison between impedance spectroscopy and electrokinetic tests , 2012 .

[16]  Y. Elakneswaran,et al.  Zeta potential study of paste blends with slag , 2009 .

[17]  Ki Yong Ann,et al.  Prediction of time dependent chloride transport in concrete structures exposed to a marine environment , 2010 .

[18]  A. Nonat,et al.  C-S-H/solution interface: Experimental and Monte Carlo studies , 2011 .

[19]  Mark A. Bradford,et al.  Five-phase composite sphere model for chloride diffusivity prediction of recycled aggregate concrete , 2013 .

[20]  A. K. Nickerson,et al.  The diffusion of ions through water-saturated cement , 1984 .

[21]  Jin Xia,et al.  Numerical simulation of ionic transport in cement paste under the action of externally applied electric field , 2013 .

[22]  San-Shyan Lin,et al.  A multi-phase model for predicting the effective diffusion coefficient of chlorides in concrete , 2012 .

[23]  G. Sergi,et al.  Diffusion of chloride and hydroxyl ions in cementitious materials exposed to a saline environment , 1992 .

[24]  Björn Johannesson,et al.  Multi-species ionic diffusion in concrete with account to interaction between ions in the pore solution and the cement hydrates , 2007 .

[25]  A. C. Garrabrants,et al.  Solution of the nonlinear Poisson–Boltzmann equation: Application to ionic diffusion in cementitious materials , 2013 .

[26]  C. Andrade,et al.  Influence of the composition of the binder and the carbonation on the zeta potential values of hardened cementitious materials , 2006 .

[27]  Jay G. Sanjayan,et al.  A semi-closed-form solution for chloride diffusion in concrete with time-varying parameters , 2004 .

[28]  G. G. Stokes.  "J." , 1890, The New Yale Book of Quotations.

[29]  Y. Elakneswaran,et al.  A model for a long-term diffusion of multispecies in concrete based on ion–cement-hydrate interaction , 2013, Journal of Materials Science.

[30]  Nick R. Buenfeld,et al.  Modelling the diffusivity of mortar and concrete using a three-dimensional mesostructure with several aggregate shapes , 2013 .

[31]  C. Andrade,et al.  Chloride threshold values to depassivate reinforcing bars embedded in a standardized OPC mortar , 2000 .

[32]  Xianming Shi,et al.  Ionic transport in cementitious materials under an externally applied electric field: Finite element modeling , 2011 .

[33]  A. Aït‐Mokhtar,et al.  Physical Modeling of the Electrical Double Layer Effects on Multispecies Ions Transport in Cement-based Materials , 2008 .

[34]  Kristian Krabbenhoft,et al.  Application of the Poisson–Nernst–Planck equations to the migration test , 2008 .

[35]  Y. Elakneswaran,et al.  Influence of surface charge on ingress of chloride ion in hardened pastes , 2009 .

[36]  Y. Elakneswaran,et al.  Electrokinetic Potential of Hydrated Cement in Relation to Adsorption of Chlorides , 2009 .

[37]  Chung‐Chia Yang,et al.  A three-phase model for predicting the effective chloride migration coefficient of ITZ in cement-based materials , 2013 .

[38]  C. L. Page,et al.  Diffusion of chloride ions in hardened cement pastes , 1981 .

[39]  R. Probstein.  Physicochemical Hydrodynamics: An Introduction , 1989 .

[40]  J. Ollivier,et al.  Numerical simulation of multi-species diffusion , 2000 .

[41]  C. Page,et al.  Modelling of electrochemical chloride extraction from concrete : Influence of ionic activity coefficients , 1998 .

[42]  Lars-Olof Nilsson,et al.  Numerical simulation of multi-species transport through saturated concrete during a migration test - MsDiff code , 2000 .

[43]  C. L. Page,et al.  Finite element modelling of chloride removal from concrete by an electrochemical method , 2000 .

[44]  O. Amiri,et al.  Influence of cement, aggregates and chlorides on zeta potential of cement-based materials , 2012 .

[45]  Edward J. Garboczi,et al.  Modeling the influence of the interfacial zone on the DC electrical conductivity of mortar , 1995 .

[46]  Dave Easterbrook,et al.  Multi-phase modelling of ionic transport in concrete when subjected to an externally applied electric field , 2012 .

[47]  E. Garboczi,et al.  Water permeability and chloride ion diffusion in portland cement mortars: Relationship to sand content and critical pore diameter , 1995 .

[48]  A. Nonat,et al.  Zeta-Potential Study of Calcium Silicate Hydrates Interacting with Alkaline Cations , 2001 .

[49]  Q. Pu,et al.  Modeling the chloride concentration profile in migration test based on general Poisson Nernst Planck equations and pore structure hypothesis , 2013 .

[50]  M. Malek,et al.  Effect of curing environments on strength, porosity and chloride ingress resistance of blast furnace slag cement concretes: A construction site study , 2012 .

[51]  C. L. Page,et al.  A two-dimensional model of electrochemical chloride removal from concrete , 2001 .