DFT-simulated Mg2+ and Ca2+-containing silicates, aluminates and aluminosilicates along with their deprotonation and dimerization reactions in solution

Geopolymer is considered as green, sustainable and supplementary cementitious binder synthesized by reaction of solid aluminosilicate precursor with monoacidic alkaline activators (NaOH/Na2SiO3 or KOH/ K2SiO3). Nevertheless, their preparation with corresponding diacidic alkaline activators i.e Mg(OH...

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Bibliographic Details

Published in:	Computational Materials Today
Main Authors:	Rajesh Patidar, Hariom Gupta, Apurva Rahangdale, Varuni Jain
Format:	Article
Language:	English
Published:	Elsevier 2025-09-01
Subjects:	Silicates Aluminates Aluminosilicates Deprotonation Dimerization
Online Access:	http://www.sciencedirect.com/science/article/pii/S2950463525000109