Fundamental Discrepancy of Chemical Reactivity of Tricalcium Oxy Silicate (alite), Dicalcium Silicate (Belite), and Their Polymorphs: A Density Functional Theory Study

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...

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Bibliographic Details
Main Authors: Seungchan Kim, Yangwoo Lee, J. Plank, Juhyuk Moon
Format: Article
Language:English
Published: SpringerOpen 2022-09-01
Series:International Journal of Concrete Structures and Materials
Subjects:
cement
alite
belite
reactivity
density functional theory
Online Access:https://doi.org/10.1186/s40069-022-00539-3

Internet

https://doi.org/10.1186/s40069-022-00539-3

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