An Estimation of Applicable Thermodynamic Data of C-S-H Gel for PHREEQC

Kato, Hiroshige*; Honda, Akira

Cementitious materials will be used extensively in the TRU waste repository. The dissolution/precipitation of cementitious materials will affect the chemical condition of pore water of TRU waste repository. Thus, it is important for estimation of chemical condition of pore water to apply the dissolution/precipitation of cementitious materials appropriately. A C-S-H gel (poorly crystallized calcium silicate hydrate) is a major component in cementitious materials which determined the mechanical characteristics of cementitious materials. The hydraulic condition of cementitious materials is strongly affected by the dissolution/precipitation of C-S-H gel due to the change of porosity accompanied with the dissolution/precipitation processes. Further, the chemical condition of pore water will be dominated by the dissolution/precipitation of C-S-H gel for a long period. Therefore, an importance of the dissolution/precipitation of C-S-H gel has been recognized internationally, and several dissolution/precipitation models of C-S-H gel have been proposed. The principal scopes of the C-S-H gel models are description of an incongruent dissolution/precipitation behavior of C-S-H gel. On the other hand, PHREEQC is a computer program, which has been used generally for the geochemical calculation. PHREEQC can provide the state of chemical equilibrium of system defined by chemical equations and equilibrium constants (log K). In JNC, reference model groundwater determined by calculation using PHREEQC in HLW study will be also used in TRU waste study. In addition, PHREEQC will be used for calculation of the cement-water reaction. Therefore, applicability of the presented dissolution/precipitation models of C-S-H gel to PHREEQC was estimated. As a result of estimation of the applicability, Atkinson model and Reardon model were selected as suitable models to the PHREEQC. The chemical equations and log K values of C-S-H gel were derived from these models and tested using PHREEQC