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Title: Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds

Abstract

The dynamics and reactivity of nanoconfined fluids play critical roles across a wide range of environmental and technological systems, though reaction mechanisms and kinetics are not well understood. Here, the carbonation kinetics of forsterite (Mg2SiO4) exposed to 90 atm supercritical carbon dioxide at 35–65 °C and 85–100% relative humidity (RH) was monitored with in situ X-ray diffraction, and partner molecular dynamics simulations were used to describe the free energy landscape of Mg2+ adsorption and diffusion on forsterite surfaces covered in water films 3–10 monolayers thick. The collective findings reveal how decreasing the water film thickness by ~1.4 monolayers, from ~0.92 to ~0.64 nm, inhibited reaction rates by up to 97%, promoted anhydrous Mg-carbonate (magnesite, MgCO3) precipitation, and more than doubled the apparent activation energy of carbonation. The transport simulations suggest that four monolayers are required to enable sufficiently facile Mg2+ diffusion, helping explain previously observed water film thickness-dependent reactivity thresholds.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4];  [5]; ORCiD logo [3]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical and Computational Sciences Directorate; Univ. of Wyoming, Laramie, WY (United States)
  2. Univ. of Wyoming, Laramie, WY (United States)
  3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical and Computational Sciences Directorate
  4. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
  5. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1633408
Alternate Identifier(s):
OSTI ID: 1602886
Report Number(s):
PNNL-SA-149770
Journal ID: ISSN 2051-8153; ESNNA4
Grant/Contract Number:  
AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Environmental Science: Nano
Additional Journal Information:
Journal Volume: 7; Journal Issue: 4; Journal ID: ISSN 2051-8153
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES

Citation Formats

Miller, Quin R. S., Kaszuba, John P., Kerisit, Sebastien N., Schaef, H. Todd, Bowden, Mark E., McGrail, B. Peter, and Rosso, Kevin M. Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds. United States: N. p., 2020. Web. https://doi.org/10.1039/c9en01382b.
Miller, Quin R. S., Kaszuba, John P., Kerisit, Sebastien N., Schaef, H. Todd, Bowden, Mark E., McGrail, B. Peter, & Rosso, Kevin M. Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds. United States. https://doi.org/10.1039/c9en01382b
Miller, Quin R. S., Kaszuba, John P., Kerisit, Sebastien N., Schaef, H. Todd, Bowden, Mark E., McGrail, B. Peter, and Rosso, Kevin M. Thu . "Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds". United States. https://doi.org/10.1039/c9en01382b. https://www.osti.gov/servlets/purl/1633408.
@article{osti_1633408,
title = {Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds},
author = {Miller, Quin R. S. and Kaszuba, John P. and Kerisit, Sebastien N. and Schaef, H. Todd and Bowden, Mark E. and McGrail, B. Peter and Rosso, Kevin M.},
abstractNote = {The dynamics and reactivity of nanoconfined fluids play critical roles across a wide range of environmental and technological systems, though reaction mechanisms and kinetics are not well understood. Here, the carbonation kinetics of forsterite (Mg2SiO4) exposed to 90 atm supercritical carbon dioxide at 35–65 °C and 85–100% relative humidity (RH) was monitored with in situ X-ray diffraction, and partner molecular dynamics simulations were used to describe the free energy landscape of Mg2+ adsorption and diffusion on forsterite surfaces covered in water films 3–10 monolayers thick. The collective findings reveal how decreasing the water film thickness by ~1.4 monolayers, from ~0.92 to ~0.64 nm, inhibited reaction rates by up to 97%, promoted anhydrous Mg-carbonate (magnesite, MgCO3) precipitation, and more than doubled the apparent activation energy of carbonation. The transport simulations suggest that four monolayers are required to enable sufficiently facile Mg2+ diffusion, helping explain previously observed water film thickness-dependent reactivity thresholds.},
doi = {10.1039/c9en01382b},
journal = {Environmental Science: Nano},
number = 4,
volume = 7,
place = {United States},
year = {2020},
month = {2}
}

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Works referenced in this record:

Wollastonite Carbonation in Water-Bearing Supercritical CO 2 : Effects of Particle Size
journal, October 2017

  • Min, Yujia; Li, Qingyun; Voltolini, Marco
  • Environmental Science & Technology, Vol. 51, Issue 21
  • DOI: 10.1021/acs.est.7b04475

Reaction of water-saturated supercritical CO2 with forsterite: Evidence for magnesite formation at low temperatures
journal, August 2012


Carbon Dioxide's Liquid-Vapor Coexistence Curve And Critical Properties as Predicted by a Simple Molecular Model
journal, August 1995

  • Harris, Jonathan G.; Yung, Kwong H.
  • The Journal of Physical Chemistry, Vol. 99, Issue 31
  • DOI: 10.1021/j100031a034

Reactions on Mineral Dust
journal, December 2003

  • Usher, Courtney R.; Michel, Amy E.; Grassian, Vicki H.
  • Chemical Reviews, Vol. 103, Issue 12
  • DOI: 10.1021/cr020657y

Interfacial energy effects and the evolution of pore size distributions during quartz precipitation in sandstone
journal, June 2010

  • Emmanuel, Simon; Ague, Jay J.; Walderhaug, Olav
  • Geochimica et Cosmochimica Acta, Vol. 74, Issue 12
  • DOI: 10.1016/j.gca.2010.03.019

Shales at all scales: Exploring coupled processes in mudrocks
journal, March 2017


Wonderful nanoconfinement effect on redox reaction equilibrium
journal, January 2014

  • Patra, Sabyasachi; Pandey, Ashok K.; Sarkar, Sudip K.
  • RSC Adv., Vol. 4, Issue 63
  • DOI: 10.1039/C4RA05104A

Mobility of chloride through cement-based materials under partially saturated conditions
journal, September 2018


Interfacial water studies and their relevance for the energy sector
journal, September 2016


Molecular Structure and Dynamics in Thin Water Films at the Silica and Graphite Surfaces
journal, July 2008

  • Argyris, Dimitrios; Tummala, Naga Rajesh; Striolo, Alberto
  • The Journal of Physical Chemistry C, Vol. 112, Issue 35
  • DOI: 10.1021/jp803234a

Anomalously low dielectric constant of confined water
journal, June 2018


One-Dimensional Confinement Inhibits Water Dissociation in Carbon Nanotubes
journal, August 2018

  • Sirkin, Yamila A. Perez; Hassanali, Ali; Scherlis, Damián A.
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 17
  • DOI: 10.1021/acs.jpclett.8b02183

Thin Water Films at Multifaceted Hematite Particle Surfaces
journal, November 2015


Molecular dynamics modeling of the structure, dynamics and energetics of mineral–water interfaces: Application to cement materials
journal, March 2007


Confinement Effects on an Electron Transfer Reaction in Nanoporous Carbon Electrodes
journal, April 2017

  • Li, Zhujie; Jeanmairet, Guillaume; Méndez-Morales, Trinidad
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 9
  • DOI: 10.1021/acs.jpclett.7b00458

Structure and dynamics of the hydrated magnesium ion and of the solvated magnesium carbonates: insights from first principles simulations
journal, January 2010

  • Tommaso, Devis Di; de Leeuw, Nora H.
  • Phys. Chem. Chem. Phys., Vol. 12, Issue 4
  • DOI: 10.1039/B915329B

Dynamic Stabilization of Metal Oxide–Water Interfaces
journal, February 2017

  • McBriarty, Martin E.; von Rudorff, Guido Falk; Stubbs, Joanne E.
  • Journal of the American Chemical Society, Vol. 139, Issue 7
  • DOI: 10.1021/jacs.6b13096

Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction
journal, February 2016

  • Zachara, John; Brantley, Sue; Chorover, Jon
  • Environmental Science & Technology, Vol. 50, Issue 6
  • DOI: 10.1021/acs.est.5b05015

Nanoconfinement effects on hydrated excess protons in layered materials
journal, August 2013

  • Muñoz-Santiburcio, Daniel; Wittekindt, Carsten; Marx, Dominik
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3349

The role of water in fault lubrication
journal, June 2018


Fluid-driven metamorphism of the continental crust governed by nanoscale fluid flow
journal, August 2017

  • Plümper, Oliver; Botan, Alexandru; Los, Catharina
  • Nature Geoscience, Vol. 10, Issue 9
  • DOI: 10.1038/ngeo3009

Fayalite dissolution and siderite formation in water-saturated supercritical CO2
journal, November 2012


Hydration of ions under confinement
journal, June 2010


Adsorbed water and thin liquid films on Mars
journal, February 2012

  • Boxe, C. S.; Hand, K. P.; Nealson, K. H.
  • International Journal of Astrobiology, Vol. 11, Issue 3
  • DOI: 10.1017/S1473550412000080

Mineral weathering and elemental transport during hillslope evolution at the Susquehanna/Shale Hills Critical Zone Observatory
journal, July 2010

  • Jin, Lixin; Ravella, Ramesh; Ketchum, Blake
  • Geochimica et Cosmochimica Acta, Vol. 74, Issue 13
  • DOI: 10.1016/j.gca.2010.03.036

Continuous time-resolved X-ray diffraction of the biocatalyzed reduction of Mn oxide
journal, November 2008

  • Fischer, T. B.; Heaney, P. J.; Jang, J. -H.
  • American Mineralogist, Vol. 93, Issue 11-12
  • DOI: 10.2138/am.2008.3038

Salinity-Induced Reduction of Interfacial Energies and Kinetic Factors during Calcium Carbonate Nucleation on Quartz
journal, May 2019


Acceleration of reaction in charged microdroplets
journal, July 2015

  • Lee, Jae Kyoo; Banerjee, Shibdas; Nam, Hong Gil
  • Quarterly Reviews of Biophysics, Vol. 48, Issue 4
  • DOI: 10.1017/S0033583515000086

Origins of hydration lubrication
journal, January 2015

  • Ma, Liran; Gaisinskaya-Kipnis, Anastasia; Kampf, Nir
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7060

Magnesite growth rates as a function of temperature and saturation state
journal, October 2009

  • Saldi, Giuseppe D.; Jordan, Guntram; Schott, Jacques
  • Geochimica et Cosmochimica Acta, Vol. 73, Issue 19
  • DOI: 10.1016/j.gca.2009.06.035

Aqueous NaCl Solutions within Charged Carbon-Slit Pores: Partition Coefficients and Density Distributions from Molecular Dynamics Simulations
journal, June 2011

  • Kalluri, Raja Kirthi; Konatham, Deepthi; Striolo, Alberto
  • The Journal of Physical Chemistry C, Vol. 115, Issue 28
  • DOI: 10.1021/jp203086x

Polar Ozone Depletion(Nobel Lecture)
journal, September 1996

  • Molina, Mario J.
  • Angewandte Chemie International Edition in English, Vol. 35, Issue 16
  • DOI: 10.1002/anie.199617781

Immiscible CO 2 -H 2 O fluids in the shallow crust: CRUSTAL CO 2 - H 2 O FLUIDS
journal, October 2006

  • Kaszuba, John P.; Williams, Laurie L.; Janecky, David R.
  • Geochemistry, Geophysics, Geosystems, Vol. 7, Issue 10
  • DOI: 10.1029/2005GC001107

The effect of time on the weathering of silicate minerals: why do weathering rates differ in the laboratory and field?
journal, December 2003


Possibility of H2O2 decomposition in thin liquid films on Mars
journal, November 2014


Impacts of Organic Ligands on Forsterite Reactivity in Supercritical CO 2 Fluids
journal, March 2015

  • Miller, Quin R. S.; Kaszuba, John P.; Schaef, Herbert T.
  • Environmental Science & Technology, Vol. 49, Issue 7
  • DOI: 10.1021/es506065d

Comparing the activation energy of diffusion in bulk and ultrathin fluid films
journal, November 2007

  • Grabowski, Christopher A.; Mukhopadhyay, Ashis
  • The Journal of Chemical Physics, Vol. 127, Issue 17
  • DOI: 10.1063/1.2802198

Nanometre-scale evidence for interfacial dissolution–reprecipitation control of silicate glass corrosion
journal, January 2015

  • Hellmann, Roland; Cotte, Stéphane; Cadel, Emmanuel
  • Nature Materials, Vol. 14, Issue 3
  • DOI: 10.1038/nmat4172

Chemistry in nanoconfined water
journal, January 2017

  • Muñoz-Santiburcio, Daniel; Marx, Dominik
  • Chemical Science, Vol. 8, Issue 5
  • DOI: 10.1039/C6SC04989C

Humidity-induced restructuring of the calcite surface and the effect of divalent heavy metals
journal, January 2007

  • Hausner, Douglas B.; Reeder, Richard J.; Strongin, Daniel R.
  • Journal of Colloid and Interface Science, Vol. 305, Issue 1
  • DOI: 10.1016/j.jcis.2006.09.069

Lattice-Dynamical Estimation of Atomic Displacement Parameters in Carbonates: Calcite and Aragonite CaCO3, Dolomite CaMg(CO3)2 and Magnesite MgCO3
journal, October 1998

  • Pilati, T.; Demartin, F.; Gramaccioli, C. M.
  • Acta Crystallographica Section B Structural Science, Vol. 54, Issue 5
  • DOI: 10.1107/S0108768197018181

Relaxations and Interfacial Water Ordering at the Corundum (110) Surface
journal, March 2010

  • Catalano, Jeffrey G.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 14
  • DOI: 10.1021/jp100455s

Effect of Nanoscale Confinement on the Crystallization of Potassium Ferrocyanide
journal, August 2016

  • Anduix-Canto, Clara; Kim, Yi-Yeoun; Wang, Yun-Wei
  • Crystal Growth & Design, Vol. 16, Issue 9
  • DOI: 10.1021/acs.cgd.6b00894

Mechanism of leached layer formation during chemical weathering of silicate minerals
journal, October 2012

  • Ruiz-Agudo, Encarnación; Putnis, Christine V.; Rodriguez-Navarro, Carlos
  • Geology, Vol. 40, Issue 10
  • DOI: 10.1130/G33339.1

Tunable Manipulation of Mineral Carbonation Kinetics in Nanoscale Water Films via Citrate Additives
journal, May 2018

  • Miller, Quin R. S.; Schaef, Herbert T.; Kaszuba, John P.
  • Environmental Science & Technology, Vol. 52, Issue 12
  • DOI: 10.1021/acs.est.8b00438

Water and carbon dioxide adsorption at olivine surfaces
journal, November 2013


Insights into silicate carbonation processes in water-bearing supercritical CO2 fluids
journal, July 2013

  • Miller, Q. R. S.; Thompson, C. J.; Loring, J. S.
  • International Journal of Greenhouse Gas Control, Vol. 15
  • DOI: 10.1016/j.ijggc.2013.02.005

Calorimetric study of the surface energy of forsterite
journal, December 2009


Particle Size Controls on Water Adsorption and Condensation Regimes at Mineral Surfaces
journal, August 2016

  • Yeşilbaş, Merve; Boily, Jean-François
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep32136

Nanomaterial-oriented molecular simulations of ion behaviour in aqueous solution under nanoconfinement
journal, March 2016


Kinetics of the solvent-mediated transformation of hydromagnesite into magnesite at different temperatures
journal, November 2014


Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide
journal, July 2015


Anomalously low activation energy of nanoconfined MgCO 3 precipitation
journal, January 2019

  • Miller, Quin R. S.; Kaszuba, John P.; Schaef, Herbert T.
  • Chemical Communications, Vol. 55, Issue 48
  • DOI: 10.1039/C9CC01337G

The missing term in effective pair potentials
journal, November 1987

  • Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P.
  • The Journal of Physical Chemistry, Vol. 91, Issue 24
  • DOI: 10.1021/j100308a038

Confinement effects on chemical reactions—Toward an integrated rational catalyst design
journal, April 2007


Brucite [Mg(OH2)] carbonation in wet supercritical CO2: An in situ high pressure X-ray diffraction study
journal, December 2011

  • Schaef, H. T.; Windisch, C. F.; McGrail, B. P.
  • Geochimica et Cosmochimica Acta, Vol. 75, Issue 23
  • DOI: 10.1016/j.gca.2011.09.029

On the growth of anhydrous Mg-bearing carbonates – Implications from norsethite growth kinetics
journal, October 2018

  • Lindner, Michael; Saldi, Giuseppe D.; Carrocci, Salvatore
  • Geochimica et Cosmochimica Acta, Vol. 238
  • DOI: 10.1016/j.gca.2018.07.013

In Situ Infrared Spectroscopic Study of Forsterite Carbonation in Wet Supercritical CO 2
journal, July 2011

  • Loring, John S.; Thompson, Christopher J.; Wang, Zheming
  • Environmental Science & Technology, Vol. 45, Issue 14
  • DOI: 10.1021/es201284e

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

Crystallization Kinetics under Confinement. Manipulation of the Crystalline Form of Salol by Varying Pore Diameter
journal, January 2016

  • Kołodziejczyk, Karolina; Tarnacka, Magdalena; Kamińska, Ewa
  • Crystal Growth & Design, Vol. 16, Issue 3
  • DOI: 10.1021/acs.cgd.5b01181

Room Temperature Magnesite Precipitation
journal, October 2017

  • Power, Ian M.; Kenward, Paul A.; Dipple, Gregory M.
  • Crystal Growth & Design, Vol. 17, Issue 11
  • DOI: 10.1021/acs.cgd.7b00311

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

Mobility of Cesium through the Callovo-Oxfordian Claystones under Partially Saturated Conditions
journal, February 2012

  • Savoye, S.; Beaucaire, C.; Fayette, A.
  • Environmental Science & Technology, Vol. 46, Issue 5
  • DOI: 10.1021/es2037433

Formation of drug nanocrystals under nanoconfinement afforded by liposomes
journal, January 2016

  • Cipolla, D.; Wu, H.; Salentinig, S.
  • RSC Advances, Vol. 6, Issue 8
  • DOI: 10.1039/C5RA25898G

The Nanopore Inner Sphere Enhancement Effect on Cation Adsorption: Sodium and Nickel
journal, January 2011

  • Schulthess, C. P.; Taylor, R. W.; Ferreira, D. R.
  • Soil Science Society of America Journal, Vol. 75, Issue 2
  • DOI: 10.2136/sssaj2010.0129nps

Nanoconfinement in Slit Pores Enhances Water Self-Dissociation
journal, July 2017


Nanogeochemistry: Geochemical reactions and mass transfers in nanopores
journal, January 2003


Forsteritic olivine: effect of crystallographic direction on dissolution kinetics
journal, May 2000


Amorphous Calcium Carbonate is Stabilized in Confinement
journal, June 2010

  • Stephens, Christopher J.; Ladden, Sophie F.; Meldrum, Fiona C.
  • Advanced Functional Materials, Vol. 20, Issue 13
  • DOI: 10.1002/adfm.201000248

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

Water properties under nano-scale confinement
journal, June 2019


Comparative reactivity study of forsterite and antigorite in wet supercritical CO2 by in situ infrared spectroscopy
journal, October 2013

  • Thompson, Christopher J.; Loring, John S.; Rosso, Kevin M.
  • International Journal of Greenhouse Gas Control, Vol. 18
  • DOI: 10.1016/j.ijggc.2013.07.007

Coupled dissolution and precipitation at mineral–fluid interfaces
journal, September 2014


Pore Size Effects on the Sorption of Supercritical CO 2 in Mesoporous CPG-10 Silica
journal, December 2011

  • Rother, Gernot; Krukowski, Elizabeth G.; Wallacher, Dirk
  • The Journal of Physical Chemistry C, Vol. 116, Issue 1
  • DOI: 10.1021/jp209341q

Interfacial water dielectric-permittivity-profile measurements using atomic force microscopy
journal, June 2001


The crystal structure of nesquehonite, MgCO 3 .3H 2 O
journal, April 1972

  • Stephan, G. W.; MacGillavry, C. H.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 4
  • DOI: 10.1107/S0567740872003668

Tracer diffusion in compacted, water-saturated bentonite
journal, June 2006

  • Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C. M.
  • Clays and Clay Minerals, Vol. 54, Issue 3
  • DOI: 10.1346/CCMN.2006.0540307

Dielectric Constant of Water Confined in a Nanocavity
journal, June 2001

  • Senapati, Sanjib; Chandra, Amalendu
  • The Journal of Physical Chemistry B, Vol. 105, Issue 22
  • DOI: 10.1021/jp011058i

Chemistry Inside Carbon Nanotubes:  the Menshutkin S N 2 Reaction
journal, February 2002

  • Halls, Mathew D.; Schlegel, H. Bernhard
  • The Journal of Physical Chemistry B, Vol. 106, Issue 8
  • DOI: 10.1021/jp0137165

The solubility of rocks in metamorphic fluids: A model for rock-dominated conditions to upper mantle pressure and temperature
journal, November 2015

  • Galvez, Matthieu E.; Manning, Craig E.; Connolly, James A. D.
  • Earth and Planetary Science Letters, Vol. 430
  • DOI: 10.1016/j.epsl.2015.06.019

The dolomite problem; control of precipitation kinetics by temperature and saturation state
journal, April 1999


Frustrated Solvation Structures Can Enhance Electron Transfer Rates
journal, November 2015

  • Remsing, Richard C.; McKendry, Ian G.; Strongin, Daniel R.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
  • DOI: 10.1021/acs.jpclett.5b02277

Magnesite growth inhibition by organic ligands: An experimental study at 100, 120 and 146 °C
journal, May 2016

  • Gautier, Quentin; Bénézeth, Pascale; Schott, Jacques
  • Geochimica et Cosmochimica Acta, Vol. 181
  • DOI: 10.1016/j.gca.2016.02.028

Reactivity of dolomite in water-saturated supercritical carbon dioxide: Significance for carbon capture and storage and for enhanced oil and gas recovery
journal, January 2013


Quantitative Review of Olivine Carbonation Kinetics: Reactivity Trends, Mechanistic Insights, and Research Frontiers
journal, July 2019

  • Miller, Quin R. S.; Schaef, H. Todd; Kaszuba, John P.
  • Environmental Science & Technology Letters, Vol. 6, Issue 8
  • DOI: 10.1021/acs.estlett.9b00301

Experimental evidence for abiotic formation of low-temperature proto-dolomite facilitated by clay minerals
journal, February 2019


Confinement Effects on Carbon Dioxide Methanation: A Novel Mechanism for Abiotic Methane Formation
journal, August 2017


Early Stages of Crystallization of Calcium Carbonate Revealed in Picoliter Droplets
journal, April 2011

  • Stephens, Christopher J.; Kim, Yi-Yeoun; Evans, Stephen D.
  • Journal of the American Chemical Society, Vol. 133, Issue 14
  • DOI: 10.1021/ja200309m

Adsorption of copper (II) on mesoporous silica: the effect of nano-scale confinement
journal, June 2018

  • Knight, Andrew W.; Tigges, Austen B.; Ilgen, Anastasia G.
  • Geochemical Transactions, Vol. 19, Issue 1
  • DOI: 10.1186/s12932-018-0057-4

Carbonation of Ca-bearing silicates, the case of wollastonite: Experimental investigations and kinetic modeling
journal, July 2009


Using Confinement To Study the Crystallization Pathway of Calcium Carbonate
journal, October 2017

  • Wang, Yunwei; Zeng, Muling; Meldrum, Fiona C.
  • Crystal Growth & Design, Vol. 17, Issue 12
  • DOI: 10.1021/acs.cgd.7b01359

The role of confined collagen geometry in decreasing nucleation energy barriers to intrafibrillar mineralization
journal, March 2018


Ion Diffusion Within Water Films in Unsaturated Porous Media
journal, April 2017

  • Tokunaga, Tetsu K.; Finsterle, Stefan; Kim, Yongman
  • Environmental Science & Technology, Vol. 51, Issue 8
  • DOI: 10.1021/acs.est.6b05891

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
journal, January 2004

  • Cygan, Randall T.; Liang, Jian-Jie; Kalinichev, Andrey G.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 4
  • DOI: 10.1021/jp0363287

Fracking: What Can Physical Chemistry Offer?
journal, February 2013

  • Yethiraj, Arun; Striolo, Alberto
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 4
  • DOI: 10.1021/jz400141e

Adsorption and capillary condensation in porous media as a function of the chemical potential of water in carbon dioxide
journal, March 2014

  • Heath, Jason E.; Bryan, Charles R.; Matteo, Edward N.
  • Water Resources Research, Vol. 50, Issue 3
  • DOI: 10.1002/2013WR013728

Role(s) of adsorbed water in the surface chemistry of environmental interfaces
journal, January 2013

  • Rubasinghege, Gayan; Grassian, Vicki H.
  • Chemical Communications, Vol. 49, Issue 30
  • DOI: 10.1039/c3cc38872g

Studies in the system MgO-SiO 2 -CO 2 -H 2 O (II); the activity-product constant of magnesite
journal, May 1970

  • Christ, C. L.; Hostetler, P. B.
  • American Journal of Science, Vol. 268, Issue 5
  • DOI: 10.2475/ajs.268.5.439

Metal Carbonation of Forsterite in Supercritical CO2 and H2O Using Solid State 29Si, 13C NMR Spectroscopy
journal, February 2010

  • Kwak, Ja Hun; Hu, Jian Zhi; Hoyt, David W.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 9, p. 4126-4134
  • DOI: 10.1021/jp1001308

Low-temperature thermodynamic model for the system Na2CO3−MgCO3−CaCO3−H2O
journal, October 1999

  • Königsberger, Erich; Königsberger, Lan-Chi; Gamsjäger, Heinz
  • Geochimica et Cosmochimica Acta, Vol. 63, Issue 19-20
  • DOI: 10.1016/S0016-7037(99)00238-0

Water reactivity in the liquid and supercritical CO2 phase: Has half the story been neglected?
journal, February 2009


Temperature-Dependent Dynamics of Water Confined in Nafion Membranes
journal, July 2006

  • Paciaroni, A.; Casciola, M.; Cornicchi, E.
  • The Journal of Physical Chemistry B, Vol. 110, Issue 28
  • DOI: 10.1021/jp0572176

A novel method to low temperature synthesis of nanocrystalline forsterite
journal, April 2007


Diffusion and Adsorption of Uranyl Carbonate Species in Nanosized Mineral Fractures
journal, January 2012

  • Kerisit, Sebastien; Liu, Chongxuan
  • Environmental Science & Technology, Vol. 46, Issue 3
  • DOI: 10.1021/es2027696

Effects of nano-confinement on Zn(II) adsorption to nanoporous silica
journal, November 2018


Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films
journal, August 2018

  • Miller, Quin R. S.; Ilton, Eugene S.; Qafoku, Odeta
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 17
  • DOI: 10.1021/acs.jpclett.8b02162

Application of symmetrized harmonics expansion to correction of the preferred orientation effect
journal, August 1993


Role of Fe(II) Content in Olivine Carbonation in Wet Supercritical CO 2
journal, August 2019

  • Wood, Cecelia E.; Qafoku, Odeta; Loring, John S.
  • Environmental Science & Technology Letters, Vol. 6, Issue 10
  • DOI: 10.1021/acs.estlett.9b00496

The role of H2O in the carbonation of forsterite in supercritical CO2
journal, July 2011

  • Kwak, Ja Hun; Hu, Jian Zhi; Turcu, Romulus V. F.
  • International Journal of Greenhouse Gas Control, Vol. 5, Issue 4
  • DOI: 10.1016/j.ijggc.2011.05.013

Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system
journal, November 2010


Automated high-pressure titration system with in situ infrared spectroscopic detection
journal, April 2014

  • Thompson, Christopher J.; Martin, Paul F.; Chen, Jeffrey
  • Review of Scientific Instruments, Vol. 85, Issue 4
  • DOI: 10.1063/1.4870411

Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers
journal, January 2016

  • Greathouse, J. A.; Cygan, R. T.; Fredrich, J. T.
  • The Journal of Physical Chemistry C, Vol. 120, Issue 3
  • DOI: 10.1021/acs.jpcc.5b10851

Precipitation in the Mg-carbonate system—effects of temperature and CO2 pressure
journal, February 2008

  • Hänchen, Markus; Prigiobbe, Valentina; Baciocchi, Renato
  • Chemical Engineering Science, Vol. 63, Issue 4
  • DOI: 10.1016/j.ces.2007.09.052

Thickness and structure of the water film deposited from vapour on calcite surfaces
journal, November 2010


DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
journal, June 1996


Nanoconfinement’s Dramatic Impact on Proton Exchange between Glucose and Water
journal, November 2016

  • Wiebenga-Sanford, Benjamin P.; DiVerdi, Joseph; Rithner, Christopher D.
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 22
  • DOI: 10.1021/acs.jpclett.6b01651

Surface chemistry allows for abiotic precipitation of dolomite at low temperature
journal, August 2013

  • Roberts, Jennifer A.; Kenward, Paul A.; Fowle, David A.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 36
  • DOI: 10.1073/pnas.1305403110

Structure and dynamics of forsterite–scCO2/H2O interfaces as a function of water content
journal, May 2012

  • Kerisit, Sebastien; Weare, John H.; Felmy, Andrew R.
  • Geochimica et Cosmochimica Acta, Vol. 84
  • DOI: 10.1016/j.gca.2012.01.038

Experimental evaluation of interactions in supercritical CO2/water/rock minerals system under geologic CO2 sequestration conditions
journal, December 2007

  • Lin, Hongfei; Fujii, Takashi; Takisawa, Reisuke
  • Journal of Materials Science, Vol. 43, Issue 7
  • DOI: 10.1007/s10853-007-2029-4

Crystallization under nanoscale confinement
journal, January 2014


Effects of Confinement on the Dielectric Response of Water Extends up to Mesoscale Dimensions
journal, May 2016


Transient liquid water and water activity at Gale crater on Mars
journal, April 2015

  • Martín-Torres, F. Javier; Zorzano, María-Paz; Valentín-Serrano, Patricia
  • Nature Geoscience, Vol. 8, Issue 5
  • DOI: 10.1038/ngeo2412

Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces
journal, March 2016

  • Osti, Naresh C.; Naguib, Michael; Ostadhossein, Alireza
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 14
  • DOI: 10.1021/acsami.6b01490

Forsterite [Mg 2 SiO 4 )] Carbonation in Wet Supercritical CO 2 : An in Situ High-Pressure X-ray Diffraction Study
journal, June 2012

  • Todd Schaef, Herbert; McGrail, Bernard P.; Loring, John L.
  • Environmental Science & Technology, Vol. 47, Issue 1
  • DOI: 10.1021/es301126f