Magazine of Concrete Research · 2019 · 26 citations · 40 references
Natural SciencesMaterials EngineeringMaterials ScienceComputational ThermodynamicsMaterials ThermodynamicsPhysical ChemistryBinding ThermodynamicsCementitious MaterialsBinding CapacityChloride ComplexationEquilibrium Binding ConstantReactive Transport ModelingSurface ComplexationThermodynamic EquilibriumThermodynamic Versus Kinetic ControlVan 'T Hoff Equation
The effect of temperature on the chloride binding capacity (CBC) of cementitious materials was investigated. A reactive transport model including thermodynamic equilibrium, kinetic control and surface complexation was applied to investigate this effect. The surface complexation model was completed by introduction of the equilibrium constant of calcium silicate hydrate (C–S–H) complexation reactions at different temperatures (5, 21 and 35°C). In order to validate the developed numerical model, the results were compared with experimental data obtained from the literature. Good agreement was found between the numerical and experimental CBCs. The effect of temperature on the CBC of cementitious materials was evaluated and is discussed in this paper. The van 't Hoff equation of C–S–H surface complexation reactions (SCRs) and variation of the standard thermodynamic properties of the SCR (Δ r H T0 (kJ/K) and Δ r S T 0 0 ) at the reference temperature of T 0 = 25°C and p 0 = 1·1013 × 10 5 Pa are also presented.
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Reactive transport codes for subsurface environmental simulation
Carl I. Steefel, C.A.J. Appelo, Bhavna Arora et al. · Computational Geosciences · 2014 · 814 citations · Full text
Chemical weathering rate laws and global geochemical cycles
Antonio C. Lasaga, Josep M. Soler, Jiwchar Ganor et al. · Geochimica et Cosmochimica Acta · 1994 · 787 citations