Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy

Kunther, Wolfgang; Dai, Zhuo; Skibsted, Jørgen

doi:10.1016/J.CEMCONRES.2016.04.012

Title: Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy

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Abstract

Hydration kinetics for the principal phases of Portland cement blends have been incorporated in thermodynamic modeling (GEMS package), utilizing degrees of hydration from {sup 29}Si MAS NMR. An empirical relationship for the reaction of these phases is established which includes three variable parameters that all can be estimated from the degrees of hydration. This approach is compared with thermodynamic equilibrium modeling (full hydration) for white Portland cement–metakaolin (0–30 wt.%) blends and for ternary blends of white Portland cement (65 wt.%)–metakaolin–limestone. The predicted phase assemblages have been compared with the phases identified by XRD, {sup 27}Al and {sup 29}Si MAS NMR which reveals that the incorporation of hydration kinetics improves the agreement between modeling and experiments. The results show also that the formation of strätlingite depends critically on the quantity of charge-balancing anions in the AFm phases, especially carbonate and sulfate anions, and on the degree of hydration for metakaolin.

Authors:: Kunther, Wolfgang; Dai, Zhuo; Skibsted, Jørgen

Publication Date:: Mon Aug 15 00:00:00 EDT 2016

OSTI Identifier:: 22696568

Resource Type:: Journal Article

Journal Name:: Cement and Concrete Research

Additional Journal Information:: Journal Volume: 86; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0008-8846

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; ALUMINIUM 27; ATOMIC FORCE MICROSCOPY; CARBONATES; HYDRATION; KINETICS; NUCLEAR MAGNETIC RESONANCE; PORTLAND CEMENT; SILICON 29; SIMULATION; SULFATES; THERMODYNAMICS; X-RAY DIFFRACTION

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                    Kunther, Wolfgang, Dai, Zhuo, and Skibsted, Jørgen. Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy.  United States: N. p., 2016. 
        Web.  doi:10.1016/J.CEMCONRES.2016.04.012.

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                    Kunther, Wolfgang, Dai, Zhuo, & Skibsted, Jørgen. Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy.  United States.  https://doi.org/10.1016/J.CEMCONRES.2016.04.012

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                    Kunther, Wolfgang, Dai, Zhuo, and Skibsted, Jørgen. 2016.  
        "Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy".  United States.  https://doi.org/10.1016/J.CEMCONRES.2016.04.012.

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@article{osti_22696568,

  title        = {Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy},

  author       = {Kunther, Wolfgang and Dai, Zhuo and Skibsted, Jørgen},

  abstractNote = {Hydration kinetics for the principal phases of Portland cement blends have been incorporated in thermodynamic modeling (GEMS package), utilizing degrees of hydration from {sup 29}Si MAS NMR. An empirical relationship for the reaction of these phases is established which includes three variable parameters that all can be estimated from the degrees of hydration. This approach is compared with thermodynamic equilibrium modeling (full hydration) for white Portland cement–metakaolin (0–30 wt.%) blends and for ternary blends of white Portland cement (65 wt.%)–metakaolin–limestone. The predicted phase assemblages have been compared with the phases identified by XRD, {sup 27}Al and {sup 29}Si MAS NMR which reveals that the incorporation of hydration kinetics improves the agreement between modeling and experiments. The results show also that the formation of strätlingite depends critically on the quantity of charge-balancing anions in the AFm phases, especially carbonate and sulfate anions, and on the degree of hydration for metakaolin.},

  doi          = {10.1016/J.CEMCONRES.2016.04.012},

  url          = {https://www.osti.gov/biblio/22696568},
  journal      = {Cement and Concrete Research},

  issn         = {0008-8846},

  number       = ,

  volume       = 86,

  place        = {United States},

  year         = {Mon Aug 15 00:00:00 EDT 2016},

  month        = {Mon Aug 15 00:00:00 EDT 2016}

}

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