Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon

Mamontov, Eugene; Yue, Yanfeng; Bahadur, Jitendra; Guo, Junjie; Contescu, Cristian I.; Gallego, Nidia C.; Melnichenko, Yuri B.

doi:10.1016/j.carbon.2016.10.052

Title: Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon

Abstract

Even when not functionalized intentionally, most carbon materials are not hydrophobic and readily adsorb water molecules from atmospheric water vapor. We have equilibrated an ultramicroporous carbon at several levels of relative humidity, thereby attaining various hydration levels. The water molecules were adsorbed on the pore walls (but did not fill completely the pore volume) and thus could be better described as hydration, or surface, rather than confined, water. We used quasielastic neutron scattering to perform a detailed investigation of the dependence of microscopic dynamics of these adsorbed water species on the hydration level and temperature. The behavior of hydration water in ultramicroporous carbon clearly demonstrates the same universal traits that characterize surface (hydration) water in other materials that are surface-hydrated. In addition, unless special treatment is intentionally applied to ultramicroporous carbon, the species filling its pores in various applications, ranging from hydrogen molecules to electrolytes, likely find themselves in contact with non-freezing water molecules characterized by rich microscopic dynamics.

Authors:

Mamontov, Eugene ^[1]; Yue, Yanfeng ^[1]; Bahadur, Jitendra ^[1]; Guo, Junjie ^[1]; Contescu, Cristian I. ^[1]; Gallego, Nidia C. ^[1]; Melnichenko, Yuri B. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Thu Oct 20 00:00:00 EDT 2016

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1330525

Alternate Identifier(s):: OSTI ID: 1396842

Grant/Contract Number:: AC05-00OR22725; AC05- 00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Carbon

Additional Journal Information:: Journal Volume: 111; Journal Issue: C; Journal ID: ISSN 0008-6223

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Mamontov, Eugene, Yue, Yanfeng, Bahadur, Jitendra, Guo, Junjie, Contescu, Cristian I., Gallego, Nidia C., and Melnichenko, Yuri B. Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon.  United States: N. p., 2016. 
Web.  doi:10.1016/j.carbon.2016.10.052.

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                    Mamontov, Eugene, Yue, Yanfeng, Bahadur, Jitendra, Guo, Junjie, Contescu, Cristian I., Gallego, Nidia C., & Melnichenko, Yuri B. Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon.  United States.  https://doi.org/10.1016/j.carbon.2016.10.052

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                    Mamontov, Eugene, Yue, Yanfeng, Bahadur, Jitendra, Guo, Junjie, Contescu, Cristian I., Gallego, Nidia C., and Melnichenko, Yuri B. Thu .  
"Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon".  United States.  https://doi.org/10.1016/j.carbon.2016.10.052.  https://www.osti.gov/servlets/purl/1330525.

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@article{osti_1330525,

  title        = {Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon},

  author       = {Mamontov, Eugene and Yue, Yanfeng and Bahadur, Jitendra and Guo, Junjie and Contescu, Cristian I. and Gallego, Nidia C. and Melnichenko, Yuri B.},

  abstractNote = {Even when not functionalized intentionally, most carbon materials are not hydrophobic and readily adsorb water molecules from atmospheric water vapor. We have equilibrated an ultramicroporous carbon at several levels of relative humidity, thereby attaining various hydration levels. The water molecules were adsorbed on the pore walls (but did not fill completely the pore volume) and thus could be better described as hydration, or surface, rather than confined, water. We used quasielastic neutron scattering to perform a detailed investigation of the dependence of microscopic dynamics of these adsorbed water species on the hydration level and temperature. The behavior of hydration water in ultramicroporous carbon clearly demonstrates the same universal traits that characterize surface (hydration) water in other materials that are surface-hydrated. In addition, unless special treatment is intentionally applied to ultramicroporous carbon, the species filling its pores in various applications, ranging from hydrogen molecules to electrolytes, likely find themselves in contact with non-freezing water molecules characterized by rich microscopic dynamics.},

  doi          = {10.1016/j.carbon.2016.10.052},

  journal      = {Carbon},

  number       = C,

  volume       = 111,

  place        = {United States},

  year         = {Thu Oct 20 00:00:00 EDT 2016},

  month        = {Thu Oct 20 00:00:00 EDT 2016}

}

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https://doi.org/10.1016/j.carbon.2016.10.052

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Works referencing / citing this record:

Nanoscale dynamics of water confined in ordered mesoporous carbon
journal, January 2019

Ito, Kanae; Faraone, Antonio; Tyagi, Madhusudan
Physical Chemistry Chemical Physics, Vol. 21, Issue 16
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A neutron scattering and electron microscopy study of the structure, wetting, and freezing behavior of water near hydrophilic CuO-nanostructured surfaces
journal, January 2019

Torres, J.; Buck, Z. N.; Kaiser, H.
Journal of Applied Physics, Vol. 125, Issue 2
DOI: 10.1063/1.5060976

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Title: Hydration level dependence of the microscopic dynamics of water adsorbed in ultramicroporous carbon

Abstract

Citation Formats

Effect of Surface Chemistry on Sorption of Water and Methanol on Activated Carbons journal, January 1996

Experimental Study of Water Adsorption on Activated Carbons journal, January 1999

Vapor adsorption on coal- and wood-based chemically activated carbons journal, January 1999

Modelling of water adsorption by activated carbons: effects of microporous structure and oxygen content journal, January 2004

Application of cooperative multimolecular sorption theory for characterization of water adsorption equilibrium in carbon journal, January 2003

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Squeezing water clusters between graphene sheets: energetics, structure, and intermolecular interactions journal, January 2014

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Intrinsic wettability of graphitic carbon journal, June 2015

Diffusion and adsorption of methane confined in nano-porous carbon aerogel: A combined quasi-elastic and small-angle neutron scattering study journal, July 2010

Restricted dynamics of molecular hydrogen confined in activated carbon nanopores journal, March 2012

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Microstructure-Dependent Gas Adsorption: Accurate Predictions of Methane Uptake in Nanoporous Carbons journal, November 2013

SANS investigations of CO2 adsorption in microporous carbon journal, December 2015

Topological Defects: Origin of Nanopores and Enhanced Adsorption Performance in Nanoporous Carbon journal, August 2012

Local Atomic Density of Microporous Carbons journal, January 2012

Investigation of morphology and hydrogen adsorption capacity of disordered carbons journal, December 2014

Clustering of water molecules in ultramicroporous carbon: In-situ small-angle neutron scattering journal, January 2017

Characteristic features of water dynamics in restricted geometries investigated with quasi-elastic neutron scattering journal, February 2016

Humidity fixed points of binary saturated aqueous solutions journal, January 1977

A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS journal, August 2011

Water vapor adsorption and the microporous structures of carbonaceous adsorbents journal, January 1980

Combining Nitrogen, Argon, and Water Adsorption for Advanced Characterization of Ordered Mesoporous Carbons (CMKs) and Periodic Mesoporous Organosilicas (PMOs) journal, November 2013

Lack of a Predominant Adsorption of Water Vapor on Carbon Mesopores journal, October 1997

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

Water vapour adsorption in highly porous carbons as seen by small and wide angle X-ray scattering journal, April 2010

Observation of fragile-to-strong liquid transition in surface water in CeO2 journal, November 2005

Dynamics of hydrogen bonds: how to probe their role in the unusual properties of liquid water journal, August 2006

The glass transition and relaxation behavior of bulk water and a possible relation to confined water journal, January 2010

Suppression of the dynamic transition in surface water at low hydration levels: A study of water on rutile journal, May 2009

Common features in the microscopic dynamics of hydration water on organic and inorganic surfaces journal, January 2012

Hydration-dependent dynamics of deeply cooled water under strong confinement journal, April 2013

Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations journal, April 2011

Molecular-dynamics study of incoherent quasielastic neutron-scattering spectra of supercooled water journal, October 1997

DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data journal, November 2009

Dynamics of water confined in single- and double-wall carbon nanotubes journal, May 2006

Observation of a dynamic crossover in water confined in double-wall carbon nanotubes journal, August 2007

Low-temperature dynamics of water confined in a hydrophobic mesoporous material journal, August 2010

Quasielastic neutron scattering study of water confined in carbon nanopores journal, July 2011

Nanoscale dynamics of water confined in ordered mesoporous carbon journal, January 2019

A neutron scattering and electron microscopy study of the structure, wetting, and freezing behavior of water near hydrophilic CuO-nanostructured surfaces journal, January 2019

Effect of Surface Chemistry on Sorption of Water and Methanol on Activated Carbons
journal, January 1996

Experimental Study of Water Adsorption on Activated Carbons
journal, January 1999

Vapor adsorption on coal- and wood-based chemically activated carbons
journal, January 1999

Modelling of water adsorption by activated carbons: effects of microporous structure and oxygen content
journal, January 2004

Application of cooperative multimolecular sorption theory for characterization of water adsorption equilibrium in carbon
journal, January 2003

A new adsorption–desorption model for water adsorption in porous carbons
journal, February 2011

Squeezing water clusters between graphene sheets: energetics, structure, and intermolecular interactions
journal, January 2014

Water in porous carbons
journal, August 2001

Water adsorption on carbons — Critical review of the most popular analytical approaches
journal, March 2008

Understanding the intrinsic water wettability of graphite
journal, August 2014

Intrinsic wettability of graphitic carbon
journal, June 2015

Diffusion and adsorption of methane confined in nano-porous carbon aerogel: A combined quasi-elastic and small-angle neutron scattering study
journal, July 2010

Restricted dynamics of molecular hydrogen confined in activated carbon nanopores
journal, March 2012

Atypical hydrogen uptake on chemically-activated, ultramicroporous carbon
journal, April 2010

Microstructure-Dependent Gas Adsorption: Accurate Predictions of Methane Uptake in Nanoporous Carbons
journal, November 2013

SANS investigations of CO2 adsorption in microporous carbon
journal, December 2015

Topological Defects: Origin of Nanopores and Enhanced Adsorption Performance in Nanoporous Carbon
journal, August 2012

Local Atomic Density of Microporous Carbons
journal, January 2012

Investigation of morphology and hydrogen adsorption capacity of disordered carbons
journal, December 2014

Clustering of water molecules in ultramicroporous carbon: In-situ small-angle neutron scattering
journal, January 2017

Characteristic features of water dynamics in restricted geometries investigated with quasi-elastic neutron scattering
journal, February 2016

Humidity fixed points of binary saturated aqueous solutions
journal, January 1977

A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS
journal, August 2011

Water vapor adsorption and the microporous structures of carbonaceous adsorbents
journal, January 1980

Combining Nitrogen, Argon, and Water Adsorption for Advanced Characterization of Ordered Mesoporous Carbons (CMKs) and Periodic Mesoporous Organosilicas (PMOs)
journal, November 2013

Lack of a Predominant Adsorption of Water Vapor on Carbon Mesopores
journal, October 1997

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

Water vapour adsorption in highly porous carbons as seen by small and wide angle X-ray scattering
journal, April 2010

Observation of fragile-to-strong liquid transition in surface water in CeO2
journal, November 2005

Dynamics of hydrogen bonds: how to probe their role in the unusual properties of liquid water
journal, August 2006

The glass transition and relaxation behavior of bulk water and a possible relation to confined water
journal, January 2010

Suppression of the dynamic transition in surface water at low hydration levels: A study of water on rutile
journal, May 2009

Common features in the microscopic dynamics of hydration water on organic and inorganic surfaces
journal, January 2012

Hydration-dependent dynamics of deeply cooled water under strong confinement
journal, April 2013

Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations
journal, April 2011

Molecular-dynamics study of incoherent quasielastic neutron-scattering spectra of supercooled water
journal, October 1997

DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data
journal, November 2009

Dynamics of water confined in single- and double-wall carbon nanotubes
journal, May 2006

Observation of a dynamic crossover in water confined in double-wall carbon nanotubes
journal, August 2007

Low-temperature dynamics of water confined in a hydrophobic mesoporous material
journal, August 2010

Quasielastic neutron scattering study of water confined in carbon nanopores
journal, July 2011

Nanoscale dynamics of water confined in ordered mesoporous carbon
journal, January 2019

A neutron scattering and electron microscopy study of the structure, wetting, and freezing behavior of water near hydrophilic CuO-nanostructured surfaces
journal, January 2019