ArticleRSC advances2024
Molecular dynamics simulation of the initial stage induction of alkali-activated aluminosilicate minerals.
Article in RSC advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- The Governing Role of Si/Al Ratio in the Structural Evolution and Mechanical Properties of N-A-S-H Gel.Materials (Basel, Switzerland) · 2026Article
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
With the increasing global concern over carbon emissions, geopolymers have garnered significant attention due to their energy-saving, waste utilization, and eco-friendly advantages. Metakaolin and slag, as aluminum-containing mineral materials in geopolymer production, have been widely studied and applied. Previous research has mainly focused on performance design and theoretical development, while the underlying mechanisms at the microscopic level remain unclear. In this study, we employed molecular dynamics simulations to investigate the microscale reaction behavior of geopolymers, exploring the induction process and structural evolution during the initial stages, and revealing the similarities and differences under alkali activation for different materials. Our findings indicate that the alkali activation process can be divided into two stages: mineral crystal deconstruction and oligomer polymerization. The role of NaOH differs between low-calcium and high-calcium systems, where in the low-calcium system, Na
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