Quantitative reactive transport modeling of Portland cement in CO2-saturated water

Bruno M. Huet, Jean H. Prevost, George W. Scherer

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99 Scopus citations


A modular reactive transport model, Dynaflow™, is used to simulate the reactivity of cement in CO2-saturated water of intermediate salinity (0.5 M). Methodology for coupling transport and geochemical modules is derived and its assumptions are discussed. The modules are coupled in a sequential iterative approach to accurately model: (1) mineral dissolution/precipitation (2) aqueous phase speciation and (3) porosity-dependent transport properties. Simulation results reproduce qualitatively the dissolution of cement hydrates (CH, C-S-H, AFm, AFt) and intermediate products (CaCO3) that have been observed experimentally. However, when using a standard power law to relate effective transport properties to porosity, modeling and experimental results do not coincide; here, agreement between simulations and observations is obtained by modifying the functional dependence of effective diffusivity on mineralogy. Furthermore, for this particular system for which concentration gradients are the only driving force, the assumption of neglecting the mass balance of water or density changes might show its limits. Therefore, future work should investigate the likely need to account for reaction-driven advection.

Original languageEnglish (US)
Pages (from-to)561-574
Number of pages14
JournalInternational Journal of Greenhouse Gas Control
Issue number3
StatePublished - May 2010

All Science Journal Classification (ASJC) codes

  • Pollution
  • General Energy
  • Management, Monitoring, Policy and Law
  • Industrial and Manufacturing Engineering


  • Carbonation
  • Cement
  • Reactive transport modeling
  • Wellbore integrity


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