Numerical simulation of cementitious materials degradation under external sulfate attack

Abstract A numerical methodology is proposed in this paper to simulate the degradation of cementitious materials under external sulfate attack. The methodology includes diffusion of ions in and out of the structure, chemical reactions which lead to dissolution and precipitation of solids, and mechanical damage accumulation using a continuum damage mechanics approach. Diffusion of ions is assumed to occur under a concentration gradient as well as under a chemical activity gradient. Chemical reactions are assumed to occur under a local equilibrium condition which is considered to be valid for diffusion controlled reaction mechanisms. A macro-scale representation of mechanical damage is used in this model which reflects the cracking state of the structure. The mechanical and diffusion properties are modified at each time step based on the accumulated damage. The model is calibrated and validated using experimental results obtained from the literature. The usefulness of the model in evaluating the mineralogical evolution and mechanical deterioration of the structure is demonstrated.

[1]  Mohammed H. Baluch,et al.  Predicting Residual Strength in Unsaturated Concrete Exposed to Sulfate Attack , 2006 .

[2]  O. Hjelmar.  EVALUATION OF ENVIRONMENTAL ASPECTS OF ALTERNATIVE MATERIALS USING AN INTEGRATED APPROACH ASSISTED BY A DATABASE/EXPERT SYSTEM , 2003 .

[3]  Jacky Mazars,et al.  'Crush-crack' : a non-local damage model for concrete , 1996 .

[4]  D. Bentz,et al.  Influence of Calcium Hydroxide Dissolution on the Transport Properties of Hydrated Cement Systems | NIST , 2001 .

[5]  Frank Schmidt-Döhl,et al.  A model for the calculation of combined chemical reactions and transport processes and its application to the corrosion of mineral-building materials Part II. Experimental verification , 1999 .

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

[7]  Ma Phifer.  Saltstone Disposal Facility Mechanically Stabilized Earth Vault Closure Cap Degradation Base Case: Institutional Control To Pine Forest Scenario , 2004 .

[8]  S. Diamond.  Delayed ettringite formation — Processes and problems , 1996 .

[9]  Y. Labadi,et al.  Numerical Simulation of Brittle Damage in Concrete Specimens , 2005 .

[10]  D. Krajcinovic.  Effective material properties in the limit of large defect concentration , 1997 .

[11]  E. Samson,et al.  Modeling the transport of ions in unsaturated cement-based materials , 2007 .

[12]  J. Mazars.  A description of micro- and macroscale damage of concrete structures , 1986 .

[13]  Didier Somette.  Critical transport and failure in continuum crack percolation , 1988 .

[14]  B. Lothenbach,et al.  Thermodynamic Modelling of the Effect of Temperature on the Hydration and Porosity of Portland Cement , 2008 .

[15]  Barzin Mobasher,et al.  Modeling of Damage in Cement-Based Materials Subjected to External Sulfate Attack. II: Comparison with Experiments , 2003 .

[16]  A. Atkinson,et al.  Mechanistic Model for the Durability of Concrete Barriers Exposed to Sulphate-Bearing Groundwaters , 1989 .

[17]  B. Budiansky,et al.  Elastic moduli of a cracked solid , 1976 .

[18]  H. Cao,et al.  THE EFFECT OF CEMENT COMPOSITION AND PH OF ENVIRONMENT ON SULFATE RESISTANCE OF PORTLAND CEMENTS AND BLENDED CEMENTS , 1997 .

[19]  Karen Scrivener,et al.  Delayed ettringite formation , 2001 .

[20]  Bruno Gérard,et al.  Simplified modelling of calcium leaching of concrete in various environments , 2002 .

[21]  F. S. Rostásy,et al.  A model for the calculation of combined chemical reactions and transport processes and its application to the corrosion of mineral-building materials: Part I. Simulation model , 1999 .

[22]  James J. Beaudoin,et al.  Modeling ion and fluid transport in unsaturated cement systems in isothermal conditions , 2005 .

[23]  W. Węglewski,et al.  Chemically Assisted Damage of Concrete: A Model of Expansion Under External Sulfate Attack , 2009 .

[24]  James G. Wang.  Sulfate attack on hardened cement paste , 1994 .

[25]  James R. Clifton,et al.  4SIGHT Manual: A Computer Program for Modelling Degradation of Underground Low Level Waste Concrete Vaults | NIST , 1995 .

[26]  Zhangxin Chen,et al.  Critical review of the impact of tortuosity on diffusion , 2007 .

[27]  S. Nemat-Nasser,et al.  Micromechanics: Overall Properties of Heterogeneous Materials , 1993 .

[28]  J. Meeussen,et al.  ORCHESTRA: an object-oriented framework for implementing chemical equilibrium models. , 2003, Environmental science & technology.

[29]  Douglas M. Ruthven,et al.  Principles of Adsorption and Adsorption Processes , 1984 .

[30]  Barzin Mobasher,et al.  Modeling of damage in cement-based materials subjected to external sulfate attack. I: Formulation , 2003 .

[31]  D. Krajcinovic,et al.  Chemo-micromechanics of brittle solids , 1992 .

[32]  Roberto Scotta,et al.  Mechanical Behavior of Concrete under Physical-Chemical Attacks , 1998 .

[33]  D Fletcher.  THERMODYNAMIC AND MASS BALANCE ANALYSIS OF EXPANSIVE PHASE PRECIPITATION IN SALTSTONE , 2008 .

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

[35]  J. Beaudoin,et al.  Mechanism of sulphate expansion I. Thermodynamic principle of crystallization pressure , 1992 .

[36]  P. Le Bescop,et al.  Long-term performance of cement paste during combined calcium leaching–sulfate attack: kinetics and size effect , 2006 .

[37]  David V. Phillips,et al.  A simplified isotropic damage model for concrete under bi-axial stress states , 2005 .

[38]  Roberto Scotta,et al.  A scalar damage model with a shear retention factor for the analysis of reinforced concrete structures: theory and validation , 2001 .

[39]  Gilles Pijaudier-Cabot,et al.  Chemo-Mechanical Effects in Mortar Beams Subjected to Water Hydrolysis , 2000 .

[40]  P. Gospodinov,et al.  The effect of sulfate ion diffusion on the structure of cement stone , 1996 .

[41]  S. Al-Dulaijan.  Sulfate resistance of plain and blended cements exposed to magnesium sulfate solutions , 2007 .

[42]  Ward Chesworth,et al.  Encyclopedia of soil science. , 2008 .

[43]  Bing Tian,et al.  Does gypsum formation during sulfate attack on concrete lead to expansion , 2000 .

[44]  J. Marchand,et al.  Theoretical analysis of the effect of weak sodium sulfate solutions on the durability of concrete , 2002 .

[45]  B. Bary.  Simplified coupled chemo‐mechanical modeling of cement pastes behavior subjected to combined leaching and external sulfate attack , 2008 .

[46]  E. Charlaix.  Percolation threshold of a random array of discs: a numerical simulation , 1986 .

[47]  J. Marchand,et al.  Modeling Ion Transport Mechanisms in Unsaturated Porous Media | NIST , 2002 .

[48]  W. Węglewski,et al.  Micromechanical modeling of sulphate corrosion in concrete: Influence of ettringite forming reaction , 2008 .

[49]  P. Gospodinov,et al.  Diffusion of sulfate ions into cement stone regarding simultaneous chemical reactions and resulting effects , 1999 .

[50]  George W. Scherer,et al.  Crystallization in pores , 1999 .

[51]  B. Karihaloo.  Fracture mechanics and structural concrete , 1995 .

[52]  S. Redner,et al.  Introduction To Percolation Theory , 2018 .

[53]  Kimberly E. Kurtis,et al.  Sulfate Attack Monitored by MicroCT and EDXRD: Influence of Cement Type, Water-To-Cement Ratio, and Aggregate , 2006 .

[54]  James J. Beaudoin,et al.  Modeling chemical activity effects in strong ionic solutions , 1999 .