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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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Principais autores: Rajesh Patidar, Hariom Gupta, Apurva Rahangdale, Varuni Jain
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2025-09-01
coleção:Computational Materials Today
Assuntos:
Silicates
Aluminates
Aluminosilicates
Deprotonation
Dimerization
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S2950463525000109
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