Davies, R H; Gisby, J A; Dinsdale, A T; Tyrer, M*; Walker, C S*; Glasser, F P* (2014) Thermodynamic modelling of phase equilibria in cement systems: multiple sublattice model for solids in equilibrium with non-ideal aqueous phase. Adv. Appl. Ceram., 113 (8). pp. 509-516.

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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 a model for the C-S-H gel phase based on non-ideal solution of ions and/or molecular species on a number of sub-lattices and is similar to that used extensively in the MTDATA software for modelling oxides and alloy phases. In application to the C-S-H system, aqueous phase compositions are represented within experimental uncertainties. Measured pH values are also predicted exceptionally well although not being included in the model parameterisation.
Extensions to the base C-S-H model are also presented to account for the presence of Al2O3 in the system and the analogous M-S-H phase in MgO containing systems. An application to nuclear waste disposal technology is shown where the C-S-H model is extended to allow uranium to partition between the gel, aqueous and other phases.

Item Type:	Article
Keywords:	thermodynamics, cements, nuclear waste
Subjects:	Advanced Materials Advanced Materials > Thermodynamics
Identification number/DOI:	10.1179/1743676114Y.0000000205
Last Modified:	02 Feb 2018 13:13
URI:	http://eprintspublications.npl.co.uk/id/eprint/6393

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