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Title: Hydrogen bonding interactions of H 2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

Abstract

Hydrogen bonding interactions play an important role in many chemical and physical processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H 2O and Si-OH) on nano-porous alteration layers (gels) formed on a boroaluminosilicate glass called International Simple Glass corroded in aqueous solutions at pH 7 and pH 9, and initially saturated with soluble silicon-containing species were analyzed using linear and non-linear vibrational spectroscopy in combination with molecular dynamics simulations. The simulation results revealed various possible types of hydrogen bonds among these hydrous species in nanoconfinement environments with their populations depending on pore-size distribution. The nano-porous gels formed on corroded glass surfaces enhance hydrogen bond strength between hydrous species as revealed by attenuated total reflectance infrared spectroscopy. Sum frequency generation spectroscopy showed some significant differences in hydrogen bonding interactions on alteration layers formed at pH 7 and pH 9. The glass dissolution under the leaching conditions used in this study has been known to be ten times faster at pH 7 in comparison to that at pH 9 due to unknown reasons. The simulation and experimental results obtained in this study indicate that the water mobility in the gel formed at pH 9 could be slowermore » than that in the gel formed at pH 7, and as a result, the leaching rate at pH 9 is slower than that at pH 7.« less

Authors:
 [1];  [1]; ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [3];  [1]
  1. Pennsylvania State Univ., University Park, PA (United States)
  2. Univ. de Montpellier, Marcoule (France); Commissariat a l'Energie Atomique et aux Energies Alternatives (CEA), Marcoule (France)
  3. Univ. of North Texas, Denton, TX (United States)
Publication Date:
Research Org.:
Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Commissariat a l'Energie Atomique et aux Energies Alternatives (CEA), Marcoule (France); Univ. of North Texas, Denton, TX (United States)
OSTI Identifier:
1593559
Grant/Contract Number:  
SC0016584
Resource Type:
Accepted Manuscript
Journal Name:
npj Materials Degradation
Additional Journal Information:
Journal Volume: 4; Journal Issue: 1; Journal ID: ISSN 2397-2106
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; 36 MATERIALS SCIENCE; Hydrogen bonding; Glass Corrosion

Citation Formats

Ngo, Dien, Liu, Hongshen, Chen, Zhe, Kaya, Huseyin, Zimudzi, Tawanda J., Gin, Stéphane, Mahadevan, Thiruvillamalai, Du, Jincheng, and Kim, Seong H. Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution. United States: N. p., 2020. Web. doi:10.1038/s41529-019-0105-2.
Ngo, Dien, Liu, Hongshen, Chen, Zhe, Kaya, Huseyin, Zimudzi, Tawanda J., Gin, Stéphane, Mahadevan, Thiruvillamalai, Du, Jincheng, & Kim, Seong H. Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution. United States. doi:10.1038/s41529-019-0105-2.
Ngo, Dien, Liu, Hongshen, Chen, Zhe, Kaya, Huseyin, Zimudzi, Tawanda J., Gin, Stéphane, Mahadevan, Thiruvillamalai, Du, Jincheng, and Kim, Seong H. Tue . "Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution". United States. doi:10.1038/s41529-019-0105-2. https://www.osti.gov/servlets/purl/1593559.
@article{osti_1593559,
title = {Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution},
author = {Ngo, Dien and Liu, Hongshen and Chen, Zhe and Kaya, Huseyin and Zimudzi, Tawanda J. and Gin, Stéphane and Mahadevan, Thiruvillamalai and Du, Jincheng and Kim, Seong H.},
abstractNote = {Hydrogen bonding interactions play an important role in many chemical and physical processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H2O and Si-OH) on nano-porous alteration layers (gels) formed on a boroaluminosilicate glass called International Simple Glass corroded in aqueous solutions at pH 7 and pH 9, and initially saturated with soluble silicon-containing species were analyzed using linear and non-linear vibrational spectroscopy in combination with molecular dynamics simulations. The simulation results revealed various possible types of hydrogen bonds among these hydrous species in nanoconfinement environments with their populations depending on pore-size distribution. The nano-porous gels formed on corroded glass surfaces enhance hydrogen bond strength between hydrous species as revealed by attenuated total reflectance infrared spectroscopy. Sum frequency generation spectroscopy showed some significant differences in hydrogen bonding interactions on alteration layers formed at pH 7 and pH 9. The glass dissolution under the leaching conditions used in this study has been known to be ten times faster at pH 7 in comparison to that at pH 9 due to unknown reasons. The simulation and experimental results obtained in this study indicate that the water mobility in the gel formed at pH 9 could be slower than that in the gel formed at pH 7, and as a result, the leaching rate at pH 9 is slower than that at pH 7.},
doi = {10.1038/s41529-019-0105-2},
journal = {npj Materials Degradation},
number = 1,
volume = 4,
place = {United States},
year = {2020},
month = {1}
}

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Works referenced in this record:

Nuclear Glass Durability: New Insight into Alteration Layer Properties
journal, August 2011

  • Gin, Stéphane; Guittonneau, Claire; Godon, Nicole
  • The Journal of Physical Chemistry C, Vol. 115, Issue 38
  • DOI: 10.1021/jp205477q

Structure and Dynamics of Interfacial Water Studied by Heterodyne-Detected Vibrational Sum-Frequency Generation
journal, April 2013


Impact of alkali on the passivation of silicate glass
journal, May 2018

  • Collin, Marie; Fournier, Maxime; Charpentier, Thibault
  • npj Materials Degradation, Vol. 2, Issue 1
  • DOI: 10.1038/s41529-018-0036-3

Atomistic origin of the passivation effect in hydrated silicate glasses
journal, February 2019


Current Understanding and Remaining Challenges in Modeling Long-Term Degradation of Borosilicate Nuclear Waste Glasses
journal, November 2013

  • Vienna, John D.; Ryan, Joseph V.; Gin, Stéphane
  • International Journal of Applied Glass Science, Vol. 4, Issue 4
  • DOI: 10.1111/ijag.12050

Water Dynamics in Nanoporous Silica: Ultrafast Vibrational Spectroscopy and Molecular Dynamics Simulations
journal, January 2019

  • Yamada, Steven A.; Shin, Jae Yoon; Thompson, Ward H.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 9
  • DOI: 10.1021/acs.jpcc.9b00593

Implementing the Theory of Sum Frequency Generation Vibrational Spectroscopy: A Tutorial Review
journal, May 2005

  • Lambert, Alex G.; Davies, Paul B.; Neivandt, David J.
  • Applied Spectroscopy Reviews, Vol. 40, Issue 2
  • DOI: 10.1081/ASR-200038326

IR investigations of water structure in Aerosol OT reverse micellar aggregates
journal, May 1993

  • Onori, Giuseppe; Santucci, Aldo
  • The Journal of Physical Chemistry, Vol. 97, Issue 20
  • DOI: 10.1021/j100122a040

Confinement-induced structural changes of water studied by Raman scattering
journal, September 2011


Dependence of Water Dynamics upon Confinement Size
journal, January 2001

  • Brubach, J. -B.; Mermet, A.; Filabozzi, A.
  • The Journal of Physical Chemistry B, Vol. 105, Issue 2
  • DOI: 10.1021/jp002983s

Pore-size dependence and characteristics of water diffusion in slitlike micropores
journal, July 2015


Sum-Frequency Vibrational Spectroscopy on Water Interfaces:  Polar Orientation of Water Molecules at Interfaces
journal, April 2006

  • Shen, Yuen Ron; Ostroverkhov, Victor
  • Chemical Reviews, Vol. 106, Issue 4
  • DOI: 10.1021/cr040377d

Analysis of Water in Confined Geometries and at Interfaces
journal, June 2010


Adsorption-induced deformation of nanoporous materials—A review
journal, March 2017

  • Gor, Gennady Y.; Huber, Patrick; Bernstein, Noam
  • Applied Physics Reviews, Vol. 4, Issue 1
  • DOI: 10.1063/1.4975001

Fourier Transform Infrared Investigation of Water States in Aerosol-OT Reverse Micelles as a Function of Counterionic Nature
journal, April 1998

  • Bey Temsamani, M.; Maeck, M.; El Hassani, I.
  • The Journal of Physical Chemistry B, Vol. 102, Issue 18
  • DOI: 10.1021/jp971844g

Towards a unifying mechanistic model for silicate glass corrosion
journal, September 2018

  • Lenting, Christoph; Plümper, Oliver; Kilburn, Matt
  • npj Materials Degradation, Vol. 2, Issue 1
  • DOI: 10.1038/s41529-018-0048-z

Bimodal Acidity at the Amorphous Silica/Water Interface
journal, November 2015

  • Pfeiffer-Laplaud, Morgane; Costa, Dominique; Tielens, Frederik
  • The Journal of Physical Chemistry C, Vol. 119, Issue 49
  • DOI: 10.1021/acs.jpcc.5b02854

The Topmost Water Structure at a Charged Silica/Aqueous Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy
journal, June 2018

  • Urashima, Shu-hei; Myalitsin, Anton; Nihonyanagi, Satoshi
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 14
  • DOI: 10.1021/acs.jpclett.8b01650

Fast dynamics of H 2 O in hydrous aluminosilicate glasses studied with quasielastic neutron scattering
journal, February 2005


SON68 nuclear glass dissolution kinetics: Current state of knowledge and basis of the new GRAAL model
journal, October 2008


Molecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores
journal, February 2018


Effect of glass composition on the hardness of surface layers on aluminosilicate glasses formed through reaction with strong acid
journal, October 2017

  • Amma, Shin-ichi; Luo, Jiawei; Kim, Seong H.
  • Journal of the American Ceramic Society, Vol. 101, Issue 2
  • DOI: 10.1111/jace.15239

Structural and dynamic properties of confined water in nanometric model porous materials (8Å⩽∅⩽40Å)
journal, July 2004


Analysis of Water and Hydroxyl Species in Soda Lime Glass Surfaces Using Attenuated Total Reflection (ATR)-IR Spectroscopy
journal, October 2015

  • Amma, Shin-ichi; Kim, Seong H.; Pantano, Carlo G.
  • Journal of the American Ceramic Society, Vol. 99, Issue 1
  • DOI: 10.1111/jace.13856

Probing Hydrogen-Bonding Interactions of Water Molecules Adsorbed on Silica, Sodium Calcium Silicate, and Calcium Aluminosilicate Glasses
journal, July 2018

  • Sheth, Nisha; Ngo, Dien; Banerjee, Joy
  • The Journal of Physical Chemistry C, Vol. 122, Issue 31
  • DOI: 10.1021/acs.jpcc.8b04233

Nanoporous silica gel structures and evolution from reactive force field-based molecular dynamics simulations
journal, July 2018


Corrosion of the International Simple Glass under acidic to hyperalkaline conditions
journal, September 2018

  • Backhouse, Daniel J.; Fisher, Adam J.; Neeway, James J.
  • npj Materials Degradation, Vol. 2, Issue 1
  • DOI: 10.1038/s41529-018-0050-5

Hydrogen bonding of water confined in zeolites and their zeolitic imidazolate framework counterparts
journal, January 2014


Deconstructing the Confinement Effect upon the Organization and Dynamics of Water in Hydrophobic Nanoporous Materials: Lessons Learned from Zeolites
journal, September 2017

  • Zhou, Tiecheng; Bai, Peng; Siepmann, J. Ilja
  • The Journal of Physical Chemistry C, Vol. 121, Issue 40
  • DOI: 10.1021/acs.jpcc.7b04991

Raman spectroscopy: Probing dynamics of water molecules confined in nanoporous silica glasses
journal, February 2007


Characterization of Silicate Complexes in Aqueous Sodium Sulfate Solutions by FAB-MS
journal, June 2005


The elusive silica/water interface: isolated silanols under water as revealed by vibrational sum frequency spectroscopy
journal, January 2017

  • Dalstein, Laetitia; Potapova, Elizaveta; Tyrode, Eric
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 16
  • DOI: 10.1039/C7CP01507K

Evaluating Water Reactivity at Silica Surfaces Using Reactive Potentials
journal, April 2018

  • Mahadevan, Thiruvilla S.; Du, Jincheng
  • The Journal of Physical Chemistry C, Vol. 122, Issue 18
  • DOI: 10.1021/acs.jpcc.7b12653

Refractive Index and Pore Structure of Acid-Leached Surface Layer of Glass
journal, April 1961

  • Kinosita, Koreo
  • Journal of the Physical Society of Japan, Vol. 16, Issue 4
  • DOI: 10.1143/JPSJ.16.807

Vibrational Response of Hydrogen-Bonded Interfacial Water is Dominated by Intramolecular Coupling
journal, April 2008


The Silica–Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties
journal, February 2012

  • Sulpizi, Marialore; Gaigeot, Marie-Pierre; Sprik, Michiel
  • Journal of Chemical Theory and Computation, Vol. 8, Issue 3
  • DOI: 10.1021/ct2007154

Effect of Hydrogen-Bonding Interaction on the Arrangement and Dynamics of Water Confined in a Polyamide Membrane: A Molecular Dynamics Simulation
journal, April 2018

  • Zhang, Ning; Chen, Shaomin; Yang, Boyun
  • The Journal of Physical Chemistry B, Vol. 122, Issue 17
  • DOI: 10.1021/acs.jpcb.7b12790

Environmental Chemistry at Vapor/Water Interfaces: Insights from Vibrational Sum Frequency Generation Spectroscopy
journal, May 2012


Water, chloroform, acetonitrile, and atrazine adsorption to the amorphous silica surface studied by vibrational sum frequency generation spectroscopy
journal, November 2009


Sum-frequency vibrational spectroscopy of the solid/liquid interface
journal, January 1995

  • Bain, Colin D.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 91, Issue 9
  • DOI: 10.1039/ft9959101281

Structure of International Simple Glass and properties of passivating layer formed in circumneutral pH conditions
journal, February 2018


Water Confined in Lamellar Structures of AOT Surfactants: An Infrared Investigation
journal, February 2002

  • Boissière, C.; Brubach, J. B.; Mermet, A.
  • The Journal of Physical Chemistry B, Vol. 106, Issue 5
  • DOI: 10.1021/jp012724i

Near-Infrared Spectra of Water Confined in Silica Hydrogels in the Temperature Interval 365−5 K
journal, October 2002

  • Cupane, Antonio; Levantino, Matteo; Santangelo, Maria Grazia
  • The Journal of Physical Chemistry B, Vol. 106, Issue 43
  • DOI: 10.1021/jp026117m

Dissociative Chemisorption of Water onto Silica Surfaces and Formation of Hydronium Ions
journal, February 2008

  • Mahadevan, T. S.; Garofalini, S. H.
  • The Journal of Physical Chemistry C, Vol. 112, Issue 5
  • DOI: 10.1021/jp076936c

In-Depth Study of Coating Multimodal Porosity Using Ellipsometry Porosimetry in Desorption Scanning Mode
journal, August 2019

  • Loizillon, Jérôme; Baumgartner, Bettina; Sinturel, Christophe
  • The Journal of Physical Chemistry C, Vol. 123, Issue 38
  • DOI: 10.1021/acs.jpcc.9b05099

Impact of soda-lime borosilicate glass composition on water penetration and water structure at the first time of alteration
journal, November 2012


How hexagonal mesoporous silica evolves in water on short and long term: Role of pore size and silica wall porosity
journal, January 2014


Vibrational spectroscopy of water at the vapor/water interface
journal, April 1993


Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments
journal, January 2017

  • Belyanchikov, M. A.; Zhukova, E. S.; Tretiak, S.
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 45
  • DOI: 10.1039/C7CP06472A

Structural and Mechanical Properties of Nanoporous Silica
journal, December 2013

  • Rimsza, J. M.; Du, Jincheng
  • Journal of the American Ceramic Society, Vol. 97, Issue 3
  • DOI: 10.1111/jace.12707

Origin and consequences of silicate glass passivation by surface layers
journal, February 2015

  • Gin, Stéphane; Jollivet, Patrick; Fournier, Maxime
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7360

p K a at Quartz/Electrolyte Interfaces
journal, August 2016

  • Pfeiffer-Laplaud, Morgane; Gaigeot, Marie-Pierre; Sulpizi, Marialore
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 16
  • DOI: 10.1021/acs.jpclett.6b01422

29Si N.M.R. studies of aqueous silicate solutions
journal, January 1977

  • Harris, R. K.; Newman, R. H.
  • Journal of the Chemical Society, Faraday Transactions 2, Vol. 73, Issue 7
  • DOI: 10.1039/f29777301204

Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
journal, May 2012

  • Bourg, Ian C.; Steefel, Carl I.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 21
  • DOI: 10.1021/jp301299a

Hydrophobicity of Hydroxylated Amorphous Fused Silica Surfaces
journal, June 2013

  • Isaienko, Oleksandr; Borguet, Eric
  • Langmuir, Vol. 29, Issue 25
  • DOI: 10.1021/la401259r

Effect of composition on the short-term and long-term dissolution rates of ten borosilicate glasses of increasing complexity from 3 to 30 oxides
journal, September 2012


Effects of surface initial condition on aqueous corrosion of glass-A study with a model nuclear waste glass
journal, September 2018

  • Liu, Hongshen; Ngo, Dien; Ren, Mengguo
  • Journal of the American Ceramic Society, Vol. 102, Issue 4
  • DOI: 10.1111/jace.16016

Dynamics of Nanoscopic Water:  Vibrational Echo and Infrared Pump−Probe Studies of Reverse Micelles
journal, November 2005

  • Piletic, Ivan R.; Tan, Howe-Siang; Fayer, M. D.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 45
  • DOI: 10.1021/jp051837p

Relative abundance of subsurface hydroxyl and molecular water species in silicate and aluminosilicate glasses
journal, April 2019


Molecular hydrophobicity at a macroscopically hydrophilic surface
journal, January 2019

  • Cyran, Jenée D.; Donovan, Michael A.; Vollmer, Doris
  • Proceedings of the National Academy of Sciences, Vol. 116, Issue 5
  • DOI: 10.1073/pnas.1819000116

Structure and Transport Properties of Water and Hydrated Ions in Nano‐Confined Channels
journal, April 2019


Molecular Simulations of Water and Ion Diffusion in Nanosized Mineral Fractures
journal, February 2009

  • Kerisit, Sebastien; Liu, Chongxuan
  • Environmental Science & Technology, Vol. 43, Issue 3
  • DOI: 10.1021/es8016045

Quantitative Sum-Frequency Generation Vibrational Spectroscopy of Molecular Surfaces and Interfaces: Lineshape, Polarization, and Orientation
journal, April 2015


Water Structure at the Buried Silica/Aqueous Interface Studied by Heterodyne-Detected Vibrational Sum-Frequency Generation
journal, April 2016

  • Myalitsin, Anton; Urashima, Shu-hei; Nihonyanagi, Satoshi
  • The Journal of Physical Chemistry C, Vol. 120, Issue 17
  • DOI: 10.1021/acs.jpcc.6b03275

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Surface Vibrational Spectroscopic Studies of Hydrogen Bonding and Hydrophobicity
journal, May 1994


An international initiative on long-term behavior of high-level nuclear waste glass
journal, June 2013


Electrolytes at the Hydroxylated (0001) α-Quartz/Water Interface: Location and Structural Effects on Interfacial Silanols by DFT-Based MD
journal, June 2016

  • Pfeiffer-Laplaud, Morgane; Gaigeot, Marie-Pierre
  • The Journal of Physical Chemistry C, Vol. 120, Issue 26
  • DOI: 10.1021/acs.jpcc.6b01819

The dissolution kinetics of quartz in sodium chloride solutions at 25 degrees to 300 degrees C
journal, June 1994


Isotopic Dilution Study of the Water/Vapor Interface by Phase-Sensitive Sum-Frequency Vibrational Spectroscopy
journal, March 2009

  • Tian, Chuan-Shan; Shen, Y. Ron
  • Journal of the American Chemical Society, Vol. 131, Issue 8
  • DOI: 10.1021/ja809497y

Elemental areal density calculation and oxygen speciation for flat glass surfaces using x-ray photoelectron spectroscopy
journal, October 2016


Molecular Dynamics Simulations of Water Structure and Diffusion in a 1 nm Diameter Silica Nanopore as a Function of Surface Charge and Alkali Metal Counterion Identity
journal, July 2018

  • Collin, Marie; Gin, Stéphane; Dazas, Baptiste
  • The Journal of Physical Chemistry C, Vol. 122, Issue 31
  • DOI: 10.1021/acs.jpcc.8b03902

Adsorption of CTAB on Hydrophilic Silica Studied by Linear and Nonlinear Optical Spectroscopy
journal, December 2008

  • Tyrode, Eric; Rutland, Mark W.; Bain, Colin D.
  • Journal of the American Chemical Society, Vol. 130, Issue 51
  • DOI: 10.1021/ja805169z

Adsorption of Singly Charged Ions at the Hydroxylated (0001) α-Quartz/Water Interface
journal, February 2016

  • Pfeiffer-Laplaud, Morgane; Gaigeot, Marie-Pierre
  • The Journal of Physical Chemistry C, Vol. 120, Issue 9
  • DOI: 10.1021/acs.jpcc.5b10947

Vibrational spectra of water molecules at quartz/water interfaces
journal, January 1994


Dynamics of water in LiCl and CaCl2 aqueous solutions confined in silica matrices: A backscattering neutron spectroscopy study
journal, September 2008


A trapped water network in nanoporous material: the role of interfaces
journal, January 2011

  • Le Caër, S.; Pin, S.; Esnouf, S.
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 39
  • DOI: 10.1039/c1cp21980d

Physical adsorption characterization of nanoporous materials: progress and challenges
journal, February 2014


Dynamics of self-reorganization explains passivation of silicate glasses
journal, June 2018


Dissolution of silica component of glass network at early stage of corrosion in initially silica‐saturated solution
journal, May 2019

  • Ngo, Dien; Liu, Hongshen; Kaya, Huseyin
  • Journal of the American Ceramic Society, Vol. 102, Issue 11
  • DOI: 10.1111/jace.16550

Perspective: Dynamics of confined liquids
journal, November 2018

  • Thompson, Ward H.
  • The Journal of Chemical Physics, Vol. 149, Issue 17
  • DOI: 10.1063/1.5057759

Neutron Scattering Study on Dynamics of Water Molecules in MCM-41. 2. Determination of Translational Diffusion Coefficient
journal, June 2005

  • Takahara, Shuichi; Sumiyama, Naoya; Kittaka, Shigeharu
  • The Journal of Physical Chemistry B, Vol. 109, Issue 22
  • DOI: 10.1021/jp046036l

Simplifying a solution to a complex puzzle
journal, November 2018

  • Gin, Stéphane; Ryan, Joseph V.; Kerisit, Sébastien
  • npj Materials Degradation, Vol. 2, Issue 1
  • DOI: 10.1038/s41529-018-0057-y

Analysis of H2O in silicate glass using attenuated total reflectance (ATR) micro-FTIR spectroscopy
journal, October 2013

  • Lowenstern, J. B.; Pitcher, B. W.
  • American Mineralogist, Vol. 98, Issue 10
  • DOI: 10.2138/am.2013.4466

Experimental Correlation Between Interfacial Water Structure and Mineral Reactivity
journal, May 2013

  • Dewan, Shalaka; Yeganeh, Mohsen S.; Borguet, Eric
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 11
  • DOI: 10.1021/jz4007417

A comparative study on bulk and nanoconfined water by time-resolved optical Kerr effect spectroscopy
journal, January 2013

  • Taschin, Andrea; Bartolini, Paolo; Marcelli, Agnese
  • Faraday Discussions, Vol. 167
  • DOI: 10.1039/c3fd00060e

Effect of Acids on Water Vapor Uptake by Pyrogenic Silica
journal, July 1997

  • Bogdan, Anatoli; Kulmala, Markku
  • Journal of Colloid and Interface Science, Vol. 191, Issue 1
  • DOI: 10.1006/jcis.1997.4920

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments
journal, December 2012

  • Rimola, Albert; Costa, Dominique; Sodupe, Mariona
  • Chemical Reviews, Vol. 113, Issue 6
  • DOI: 10.1021/cr3003054

Vibrational Density of States of Strongly H-Bonded Interfacial Water: Insights from Inelastic Neutron Scattering and Theory
journal, May 2014

  • Wang, Hsiu-Wen; DelloStritto, Mark J.; Kumar, Nitin
  • The Journal of Physical Chemistry C, Vol. 118, Issue 20
  • DOI: 10.1021/jp500954v

Hydrogen bonding strength of interfacial water determined with surface sum-frequency generation
journal, February 2009


Waste Glass Weathering
journal, January 1993


Water Dynamics in Nanoporous Alteration Layer Coming from Glass Alteration: An Experimental Approach
journal, June 2015

  • Rébiscoul, D.; Cambedouzou, J.; Matar Briman, I.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 28
  • DOI: 10.1021/acs.jpcc.5b03073

Unified Molecular View of the Air/Water Interface Based on Experimental and Theoretical χ (2) Spectra of an Isotopically Diluted Water Surface
journal, October 2011

  • Nihonyanagi, Satoshi; Ishiyama, Tatsuya; Lee, Touk-kwan
  • Journal of the American Chemical Society, Vol. 133, Issue 42
  • DOI: 10.1021/ja2053754

Structural and Dynamical Properties of Water Confined in Highly Ordered Mesoporous Silica in the Presence of Electrolytes
journal, July 2018

  • Baum, Markus; Rébiscoul, Diane; Juranyi, Fanni
  • The Journal of Physical Chemistry C, Vol. 122, Issue 34
  • DOI: 10.1021/acs.jpcc.8b02182

Vibrational spectra of water at water/α-quartz (0001) interface
journal, March 2004


Glassy Wasteforms for Nuclear Waste Immobilization
journal, November 2010

  • Ojovan, Michael I.; Lee, William E.
  • Metallurgical and Materials Transactions A, Vol. 42, Issue 4
  • DOI: 10.1007/s11661-010-0525-7

Water transport within carbon nanotubes on a wave
journal, January 2016

  • Li, Jin-Yi; Wu, Zeng-Qiang; Xu, Jing-Juan
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 48
  • DOI: 10.1039/C6CP05773J

Evolution of the Adsorbed Water Layer Structure on Silicon Oxide at Room Temperature
journal, September 2005

  • Asay, David B.; Kim, Seong H.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 35
  • DOI: 10.1021/jp053042o

Nanoporous silica-water interfaces studied by sum-frequency vibrational spectroscopy
journal, April 2009

  • Zhang, Luning; Singh, Seema; Tian, Chuanshan
  • The Journal of Chemical Physics, Vol. 130, Issue 15
  • DOI: 10.1063/1.3118906

Dissociative Water Potential for Molecular Dynamics Simulations
journal, August 2007

  • Mahadevan, T. S.; Garofalini, S. H.
  • The Journal of Physical Chemistry B, Vol. 111, Issue 30
  • DOI: 10.1021/jp072530o

Quasielastic neutron scattering study of dynamics of CaCl2 aqueous solution confined in Vycor glass
journal, January 2006

  • Mamontov, E.; Cole, D. R.
  • Physical Chemistry Chemical Physics, Vol. 8, Issue 42
  • DOI: 10.1039/b610674a

The fate of silicon during glass corrosion under alkaline conditions: A mechanistic and kinetic study with the International Simple Glass
journal, February 2015

  • Gin, Stéphane; Jollivet, Patrick; Fournier, Maxime
  • Geochimica et Cosmochimica Acta, Vol. 151
  • DOI: 10.1016/j.gca.2014.12.009

Confined Water as Model of Supercooled Water
journal, March 2016


Adsorption of water on porous Vycor glass studied by ellipsometry
journal, January 2001

  • Álvarez-Herrero, Alberto; Heredero, Raquel L.; Bernabeu, Eusebio
  • Applied Optics, Vol. 40, Issue 4
  • DOI: 10.1364/AO.40.000527

Molecular dynamics simulation of nanoporous silica
journal, January 2000


Selective Detection of Crystalline Cellulose in Plant Cell Walls with Sum-Frequency-Generation (SFG) Vibration Spectroscopy
journal, July 2011

  • Barnette, Anna L.; Bradley, Laura C.; Veres, Brandon D.
  • Biomacromolecules, Vol. 12, Issue 7
  • DOI: 10.1021/bm200518n

T dependence of vibrational dynamics of water in ion-exchanged zeolites A: A detailed Fourier transform infrared attenuated total reflection study
journal, October 2005

  • Crupi, Vincenza; Longo, Francesca; Majolino, Domenico
  • The Journal of Chemical Physics, Vol. 123, Issue 15
  • DOI: 10.1063/1.2060687