Integrating Physicochemical and Geochemical Aspects for Development of a Multi-scale Modelling Framework to Performance Assessment of Cementitious Materials

  • Yogarajah Elakneswaran
  • Tetsuya Ishida
Part of the RILEM Bookseries book series (RILEM, volume 8)


A robust and reliable model has been required to take into account the fundamental physicochemical and geochemical reactions resulting due to detrimental effects during the service-life of concrete structures. A multi-scale model developed by Concrete Laboratory at the University of Tokyo is extended in this study by coupling geochemical code PHREEQC with the model. The newly developed multi-scale modelling framework capable of addressing physiochemical and geochemical processes in cementitious materials such as hydration of cement particles, pore structure formation, multi-species transport, activity effect, ionic interaction with cement hydrates, etc. In addition, it provides a better understanding of the underlying mechanisms, which govern the degradation of cementitious materials. The model predictions for composition of cement hydrates and porosity are quantitatively compared with experimental results obtained in the literature. The capability of the model in evaluating the performance of cementitious materials in various aggressive environments is addressed. The simulation results predict the spatial and time variation of solid phases, pore water compositions, pore structure properties, etc. Thus the developed multi-scale framework can potentially be applied to assess long-term durability of concrete infrastructures.


Ordinary Portland Cement Cementitious Material Cement Hydrate Pore Solution Calcium Silicate Hydrate 
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  1. 1.
    Maekawa, K., Ishida, T., Kishi, T.: Multi-scale modelling of structural concrete. Taylor & Francis (2009)Google Scholar
  2. 2.
    Ishida, T., Iqbal, P.O., Anh, H.O.: Modelling of chloride diffusivity coupled with non-linear binding capacity in sound and cracked concrete. Cement and Concrete Research 39, 913–923 (2009)CrossRefGoogle Scholar
  3. 3.
    Marchand, J., et al.: Theoretical analysis of the effect of weak sodium sulphate solutions on the durability of concrete. Cement & Concrete Composites 24, 317–329 (2002)CrossRefGoogle Scholar
  4. 4.
    Elakneswaran, Y., et al.: Multi-ionic transport in cementitious materials with ion-cement hydrates interactions. PhD thesis, Hokkaido University, Japan (2009)Google Scholar
  5. 5.
    Hosokawa, Y., et al.: Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibrium. Materials and Structures 44, 1577–1592 (2011)CrossRefGoogle Scholar
  6. 6.
    Parkhust, D.L., Appelo, C.A.J.: A computer program for speciation, batch-reaction, one-dimensional transport and inverse geochemical calculations, USGS report (1999)Google Scholar
  7. 7.
    Appelo, C.A.J., Postma: Geochemistry, groundwater and pollution. CRC Press Taylor & Francis Group (2009)Google Scholar
  8. 8.
    Charlton, S.R., Parkhurst, D.L.: Modules based on the geochemical model PHREEQC for use in scripting and programming languages. Computers & Geosciences 37, 1653–1663 (2011)CrossRefGoogle Scholar
  9. 9.
    Appelo, C.A.J., Wersin, P.: Multicomponent Diffusion Modelling in Clay Systems with Application to the Diffusion of Tritium, Iodide, and Sodium in Opalinus Clay. Environmental Science & Technology 41, 5002–5007 (2007)CrossRefGoogle Scholar
  10. 10.
    Lothenbach, B.: Thermodynamic equilibrium calculations in cementitious systems. Materials and Structures 43, 1413–1433 (2010)CrossRefGoogle Scholar
  11. 11.
    Blanc, P., et al.: Chemical model for cement-based materials: Temperature dependence of thermodynamic functions for nanocrystalline and crystalline C-S-H phases. Cement and Concrete Research 40, 851–866 (2010)CrossRefGoogle Scholar
  12. 12.
    Richardson, M.G.: Fundamentals of durable reinforced concrete. Spon press, Taylor & Francis group (2002)Google Scholar
  13. 13.
    Santhanam, M., Cohen, M., Olek, J.: Differentiating sea-water and groundwater sulfate attack in Portland cement mortars. Cement and Concrete Research 36, 2132–2137 (2006)CrossRefGoogle Scholar
  14. 14.
    Neville, A.: Properties of concrete. Peason Education, Essex (2000)Google Scholar
  15. 15.
    Sarkar, S., et al.: Numerical simulation of cementitious materials degradation under external sulfate attack. Cement & Concrete Composites 32, 241–252 (2010)CrossRefGoogle Scholar

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© RILEM 2013

Authors and Affiliations

  • Yogarajah Elakneswaran
    • 1
  • Tetsuya Ishida
    • 1
  1. 1.Department of Civil EngineeringUniversity of TokyoTokyoJapan

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