Realistic atomic structure of fly ash-based geopolymer gels: Insights from molecular dynamics simulations
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 151, Issue: 6
2019
- 29Citations
- 268Usage
- 39Captures
Metric Options: CountsSelecting the 1-year or 3-year option will change the metrics count to percentiles, illustrating how an article or review compares to other articles or reviews within the selected time period in the same journal. Selecting the 1-year option compares the metrics against other articles/reviews that were also published in the same calendar year. Selecting the 3-year option compares the metrics against other articles/reviews that were also published in the same calendar year plus the two years prior.
Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Metrics Details
- Citations29
- Citation Indexes29
- 29
- CrossRef22
- Usage268
- Downloads250
- Abstract Views18
- Captures39
- Readers39
- 39
Article Description
Geopolymers, synthesized through alkaline activation of aluminosilicates, have emerged as a sustainable alternative for traditional ordinary Portland cement. In spite of the satisfactory mechanical performance and sustainability-related benefits, the large scale acceptance of geopolymers in the construction industry is still limited due to poor understanding of the composition-property relationships. Molecular simulation is a powerful tool to develop such relationships, provided that the adopted molecular structure represents the experimental data effectively. Toward this end, this paper presents a new molecular structure of sodium aluminosilicate hydrate geopolymer gels, inspired from the traditional calcium silicate hydrates gel. In contrast to the existing model - where water is uniformly distributed in the structure - we present a layered-but-disordered structure. This new structure incorporates water in the interlayer space of the aluminosilicate network. The structural features of the new proposed molecular structure are evaluated in terms of both short- and medium-range order features such as pair distribution functions, bond angle distributions, and structure factor. The structural features of the newly proposed molecular structure with interlayer water show better correlation with the experimental observations as compared to the existing traditional structure signifying an increased plausibility of the proposed structure. The proposed structure can be adopted as a starting point toward the realistic multiscale simulation-based design and development of geopolymers.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85070763257&origin=inward; http://dx.doi.org/10.1063/1.5121519; https://pubs.aip.org/jcp/article/151/6/064307/561030/Realistic-atomic-structure-of-fly-ash-based; https://digitalcommons.uri.edu/cve_facpubs/43; https://digitalcommons.uri.edu/cgi/viewcontent.cgi?article=1042&context=cve_facpubs
AIP Publishing
Provide Feedback
Have ideas for a new metric? Would you like to see something else here?Let us know