Dissociation Mechanisms of Dissolved Alkali Silicates in Sodium Hydroxide
Name
acs.jpcc.0c01495.pdf
Description
Published version
Size
2.84 MB
Format
Adobe PDF
Checksum (MD5)
8dce5eead41b98339f5207d47c16801c
Author(s)
Dupuis, Romain
Pellenq, Roland Jm
Champenois, Jean-Baptiste
Poulesquen, Arnaud
Date Issued
March 2020
Journal
Journal of Physical Chemistry C
Publisher
American Chemical Society (ACS)
Citation
Dupuis, Romain et al. "Dissociation Mechanisms of Dissolved Alkali Silicates in Sodium Hydroxide." Journal of Physical Chemistry C 124, 15 (March 2020): 8288–8294 © 2020 American Chemical Society
Version
Final published version
Abstract
Recent accelerated simulations of the decondensation of silicates by sodium hydroxide open a window on understanding complex mechanisms of the depolymerization of silicate chains. Herein, complex mechanisms of decondensation that involve two water molecules (or OH- groups) are unveiled. The study of two different solutions, having the same chemical composition but in different concentration, help one to draw more general conclusions on the dissociation mechanism in silicate solutions. We find that the dissociation is not always assisted by single water molecules but that in about 20% of the cases two water molecules (or OH-) are present in the near environment. The results underline the importance to consider explicit water solvent in which water molecules are reactive.
MIT Department
MIT Energy Initiative
Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Terms of Use
Creative Commons Attribution 4.0 International license
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DOI of Published Version
https://doi.org/10.1021/acs.jpcc.0c01495
