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Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibriums

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Abstract

In this study, a coupled multi-species transport and chemical equilibrium model has been established. The model is capable of predicting time dependent variation of pore solution and solid-phase composition in concrete. Multi-species transport approaches, based on the Poisson–Nernst–Planck (PNP) theory alone, not involving chemical processes, have no real practical interest since the chemical action is very dominant for cement based materials. Coupled mass transport and chemical equilibrium models can be used to calculate the variation in pore solution and solid-phase composition when using different types of cements. For example, the physicochemical evaluation of steel corrosion initiation can be studied by calculating the molar ratio of chloride ion to hydroxide ion in the pore solution. The model can, further, for example, calculate changes of solid-phase composition caused by the penetration of seawater into the concrete cover. The mass transport part of the model is solved using a non-linear finite element approach adopting a modified Newton–Raphson technique for minimizing the residual error at each time step of the calculation. The chemical equilibrium part of the problem is solved by using the PHREEQC program. The coupling between the transport part and chemical part of the problem is tackled by using a sequential operator splitting technique and the calculation results are verified by comparing the elemental spacial distribution in concrete measured by the electron probe microanalysis (EPMA).

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Acknowledgments

We would like to thank Dr. André Nonat (Université de Bourgogne) for his helpful discussion and advisement on the C–S–H model and Dr. Toru Yamaji for his kind approval to use several measurement results of marine structures.

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Author notes

  1. Kazuo Yamada

    Present address: Taiheiyo Consultant Co. Ltd., 2-4-2 Osaku, Sakurashi, Chiba, 285-8655, Japan

Authors and Affiliations

  1. R & D Center, Taiheiyo Cement Corporation, 2-4-2 Osaku, Sakurashi, Chiba, 285-8655, Japan

    Yoshifumi Hosokawa & Kazuo Yamada

  2. Department of Civil Engineering, Technical University of Denmark, Building 118, Lyngby, 2800, Denmark

    Björn Johannesson

  3. Division of Building Materials, University of Lund, Lund, Sweden

    Lars-Olof Nilsson

Authors
  1. Yoshifumi Hosokawa
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  2. Kazuo Yamada
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  3. Björn Johannesson
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  4. Lars-Olof Nilsson
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Correspondence to Yoshifumi Hosokawa.

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Hosokawa, Y., Yamada, K., Johannesson, B. et al. Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibriums. Mater Struct 44, 1577–1592 (2011). https://doi.org/10.1617/s11527-011-9720-2

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  • DOI: https://doi.org/10.1617/s11527-011-9720-2

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