Chloride diffusivity in hardened cement paste from microscale analyses and accounting for binding effects

The diffusion of chloride ions in hardened cement paste (HCP) under steady-state conditions and accounting for the highly heterogeneous nature of the material is investigated. The HCP microstructures are obtained through segmentation of X-ray images of real samples as well as from simulations using the cement hydration model CEMHYD3D. Moreover, the physical and chemical interactions between chloride ions and HCP phases (binding), along with their effects on the diffusive process, are explicitly taken into account. The homogenized diffusivity of the HCP is then derived through a least square homogenization technique. Comparisons between numerical results and experimental data from the literature are presented.

[1]  N. Ukrainczyk,et al.  Representative elementary volumes for 3D modeling of mass transport in cementitious materials , 2014 .

[2]  Magdalena Balonis,et al.  The density of cement phases , 2009 .

[3]  C. Page,et al.  Effects of carbonation on pore structure and diffusional properties of hydrated cement pastes , 1997 .

[4]  Lars-Olof Nilsson,et al.  Chloride binding capacity and binding isotherms of OPC pastes and mortars , 1993 .

[5]  Guang Ye,et al.  Multiscale lattice Boltzmann-finite element modelling of chloride diffusivity in cementitious materials. Part I: Algorithms and implementation , 2014 .

[6]  D. Bentz Three-Dimensional Computer Simulation of Portland Cement Hydration and Microstructure Development , 1997 .

[7]  Mingzhong Zhang,et al.  Multiscale lattice Boltzmann-finite element modelling of chloride diffusivity in cementitious materials. Part II: Simulation results and validation , 2014 .

[8]  E. Benya Advances in computed tomography. , 2008, Pediatric annals.

[9]  Rasheeduzzafar,et al.  Influence of sulfates on chloride binding in cements , 1994 .

[10]  Edward J. Garboczi,et al.  Multi-Scale Microstructural Modeling of Concrete Diffusivity: Identification of Significant Varibles , 1998 .

[11]  Edward J. Garboczi,et al.  Percolation of phases in a three-dimensional cement paste microstructural model , 1991 .

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

[13]  E. Samson,et al.  Modelling ion diffusion mechanisms in porous media , 1999 .

[14]  Hassan Zibara,et al.  Binding of external chlorides by cement pastes , 2001 .

[15]  Luigi Coppola,et al.  Impact of the associated cation on chloride binding of Portland cement paste , 2015 .

[16]  Katrien Audenaert,et al.  Chloride binding of cement-based materials subjected to external chloride environment – A review , 2009 .

[17]  D. Bentz,et al.  The Influence of Calcium Chloride Deicing Salt on Phase Changes and Damage Development in Cementitious Materials. , 2015, Cement & concrete composites.

[18]  Edward J. Garboczi,et al.  The effect of statistical fluctuation, finite size error, and digital resolution on the phase percolation and transport properties of the NIST cement hydration model , 2001 .

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

[20]  Dale P. Bentz,et al.  Capillary Porosity Depercolation/Repercolation in Hydrating Cement Pastes Via Low‐Temperature Calorimetry Measurements and CEMHYD3D Modeling , 2006 .

[21]  Michael D.A. Thomas,et al.  A study of the effect of chloride binding on service life predictions , 2000 .

[22]  Jian‐Jun Zheng,et al.  A simple method for predicting the chloride diffusivity of cement paste , 2010 .

[23]  Edward J. Garboczi,et al.  Multiscale Analytical/Numerical Theory of the Diffusivity of Concrete , 1998 .

[24]  V. S. Ramachandran Possible states of chloride in the hydration of tricalcium silicate in the presence of calcium chloride , 1971 .

[25]  Daniel Quenard,et al.  The Visible Cement Data Set , 2002, Journal of research of the National Institute of Standards and Technology.

[26]  Nicos Martys,et al.  Modeling of the Influence of Transverse Cracking on Chloride Penetration into Concrete , 2013 .

[27]  Filip Nilenius,et al.  Macroscopic diffusivity in concrete determined by computational homogenization , 2013 .

[28]  C. L. Page,et al.  Diffusion in cementitious materials: 1. Comparative study of chloride and oxygen diffusion in hydrated cement pastes , 1991 .

[29]  E. Garboczi,et al.  Computer simulation of the diffusivity of cement-based materials , 1992 .

[30]  Z. Bažant,et al.  Modeling Chloride Penetration in Saturated Concrete , 1999 .

[31]  D. Northwood,et al.  Experimental measurements of chloride ion diffusion rates using a two-compartment diffusion cell: Effects of material and test variables , 1995 .

[32]  Kazuo Yamada,et al.  Chloride Binding of Cement Estimated by Binding Isotherms of Hydrates , 2005 .

[33]  Michael D.A. Thomas,et al.  An overview and sensitivity study of a multimechanistic chloride transport model , 1999 .

[34]  Dale P Bentz,et al.  CEMHYD3D:: a three-dimensional cement hydration and microstructure development modelling package , 1997 .

[35]  D. Bentz Quantitative comparison of real and CEMHYD3D model microstructures using correlation functions , 2006 .

[36]  Gene W. Corley,et al.  Cement and concrete , 1992 .

[37]  Filip Nilenius,et al.  Computational homogenization of diffusion in three-phase mesoscale concrete , 2014 .

[38]  Dale P. Bentz,et al.  CEMHYD3D: A Three-Dimensional Cement Hydration and Microstructure Development Modelling Package. Version 2.0. , 2000 .

[39]  Jacques Marchand,et al.  Modeling the behavior of unsaturated cement systems exposed to aggressive chemical environments , 2001 .