Thermodynamic modelling of phase equilibria in cement systems: Multiple sublattice model for solids in equilibrium with non-ideal aqueous phase

R. H. Davies, J. A. Gisby, A. Dinsdale, M. Tyrer, C. S. Walker, F. P. Glasser

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The thermodynamics of the CaO-SiO2-H2O (C-S-H) gel phase present in cement systems has traditionally been modelled in terms of one or more stoichiometric solid phases.We present amodel for the C-S-H gel phase based on non-ideal solution of ions and/or molecular species on a number of sublattices similar to that used extensively in National Physical Laboratory's MTDATA software for modelling oxides and alloy phases. In application to the C-S-H system, aqueous phase compositions are represented within experimental uncertainties, and measured pH values are predicted exceptionally well although not included in the model parameterisation. Extensions to the base C-S-H model to account for the presence of Al2O3, modelling of the analogous M-S-H phase in MgO containing systems and an application to nuclear waste disposal technology where the portioning of uranium between the gel, aqueous and other phases is calculated, are also discussed.

Original languageEnglish
Pages (from-to)509-516
Number of pages8
JournalAdvances in Applied Ceramics
Volume113
Issue number8
Early online date23 Sep 2014
DOIs
Publication statusPublished - 1 Nov 2014
Externally publishedYes

Keywords

  • Cement
  • CSH
  • Modelling
  • Thermodynamics

ASJC Scopus subject areas

  • Ceramics and Composites
  • Industrial and Manufacturing Engineering

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