Alite - Aluminate
Benchmark description
The hydration of a strongly simplified clinker system is simulated using the modified Parrot-Killoch rate equations and thermodynamic equilibrium with cement hydrates.
The simplified clinker system consists of 80 w% alite (C3S) and 20 w% aluminate (C4A) where C3S has 75 w% CaO and 25 w% SiO2 and C4A has 65 w% CaO and 35 w% Al2O3. The w/c ratio is 0.5.
The hydration is simulated for 10000 hours.
Volumes of solids, aqueous concentration and cumulative heat release under isothermal conditions are compared with simulations using CemGEMS (Kulik et al., 2021).
Input
An overview of the simplified system is given below.
Table 01 - Simplified clinkerg system
Parameters of the modified Parrot-Killoch rate equations are given in the benchmark BH_Clinkers.
Results
The graphs below compare different output variables:
Volumes of clinkers and hydrates - Good agreements between the two codes are obtained for the evolution of clinkers, hydrates and free water. In the particular settings of the benchmarks, the volumes of portlandite and C-S-H are identical.
Cumulative heat release under isothermal condition -
Figure 1 - Volumes of clinkers and hydrates during hydration of the simplified C3S-C3A system calculated with PHREEQC (solid lines) and CemGEMS (dashed lines with dots)
Figure 2 - Cumulative heat release under isothermal conditions during hydration of the simplified C3S-C4A system calculated with PHREEQC (solid lines) and CemGEMS (dashed lines with dots)
Project
Acronym BH_C3SC4A
Project Name: 02_Benchmarks_Hydration_11_Alite-Aluminate (B01)