Interaction of NaOH solutions with silica surfaces

Interaction of NaOH solutions with silica surfaces Journal of Colloid and Interface Science 516 (2018) 128–137 Contents lists available at ScienceDirect Journal of Colloid and Interface Science journal homepage: www.elsevier.com/locate/jcis Regular Article a b a,⇑ J.M. Rimsza , R.E. Jones , L.J. Criscenti Geochemistry Department, Sandia National Laboratories, Albuquerque, NM 87185, USA Science-Based Material Modeling Department, Sandia National Laboratories, Livermore, CA 94551, USA graphical a bstract ar ti c l e i nf o ab stra ct Article history: Hypothesis: Sodium adsorption on silica surfaces depends on the solution counter-ion. Here, we use Received 10 November 2017 NaOH solutions to investigate basic environments. Revised 8 January 2018 Simulations: Sodium adsorption on hydroxylated silica surfaces from NaOH solutions were investigated Accepted 12 January 2018 through molecular dynamics with a dissociative force field, allowing for the development of secondary Available online 16 January 2018 molecular species. Findings: Across the NaOH concentrations (0.01 M  1.0 M), 50% of the Na ions were concentrated in the Keywords: 2 2 surface region, developing silica surface charges between  0.01 C/m (0.01 M NaOH) and  0.76 C/m Adsorption (1.0 M NaOH) due to surface site deprotonation. Five inner-sphere adsorption complexes were identified, Silica including monodentate, bidentate, and tridentate configurations and http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Colloid and Interface Science Elsevier

Interaction of NaOH solutions with silica surfaces

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier Inc.
ISSN
0021-9797
eISSN
1095-7103
D.O.I.
10.1016/j.jcis.2018.01.049
Publisher site
See Article on Publisher Site

Abstract

Journal of Colloid and Interface Science 516 (2018) 128–137 Contents lists available at ScienceDirect Journal of Colloid and Interface Science journal homepage: www.elsevier.com/locate/jcis Regular Article a b a,⇑ J.M. Rimsza , R.E. Jones , L.J. Criscenti Geochemistry Department, Sandia National Laboratories, Albuquerque, NM 87185, USA Science-Based Material Modeling Department, Sandia National Laboratories, Livermore, CA 94551, USA graphical a bstract ar ti c l e i nf o ab stra ct Article history: Hypothesis: Sodium adsorption on silica surfaces depends on the solution counter-ion. Here, we use Received 10 November 2017 NaOH solutions to investigate basic environments. Revised 8 January 2018 Simulations: Sodium adsorption on hydroxylated silica surfaces from NaOH solutions were investigated Accepted 12 January 2018 through molecular dynamics with a dissociative force field, allowing for the development of secondary Available online 16 January 2018 molecular species. Findings: Across the NaOH concentrations (0.01 M  1.0 M), 50% of the Na ions were concentrated in the Keywords: 2 2 surface region, developing silica surface charges between  0.01 C/m (0.01 M NaOH) and  0.76 C/m Adsorption (1.0 M NaOH) due to surface site deprotonation. Five inner-sphere adsorption complexes were identified, Silica including monodentate, bidentate, and tridentate configurations and

Journal

Journal of Colloid and Interface ScienceElsevier

Published: Apr 15, 2018

References

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