Fundamental Discrepancy of Chemical Reactivity of Tricalcium Oxy Silicate (alite), Dicalcium Silicate (Belite), and Their Polymorphs: A Density Functional Theory Study
Abstract Tricalcium oxy silicate (C3S) and dicalcium silicate (C2S) are the major constituents of cement. In this study, the reactivity of polymorphs of calcium silicates is quantitatively investigated using Density Functional Theory. The result of combining the DFT calculation and the Bader charge...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
SpringerOpen
2022-09-01
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| Series: | International Journal of Concrete Structures and Materials |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s40069-022-00539-3 |