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Title: Pore-size dependence and characteristics of water diffusion in slitlike micropores

Journal Article · · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
 [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

The temperature dependence of the dynamics of water inside microporous activated carbon fibers (ACF) is investigated by means of incoherent elastic and quasielastic neutron-scattering techniques. The aim is to evaluate the effect of increasing pore size on the water dynamics in these primarily hydrophobic slit-shaped channels. Using two different micropore sizes (similar to 12 and 18 angstrom, denoted, respectively, ACF-10 and ACF-20), a clear suppression of the mobility of the water molecules is observed as the pore gap or temperature decreases. Suppression, we found, is accompanied by a systematic dependence of the average translational diffusion coefficient D-r and relaxation time [tau(0)] of the restricted water on pore size and temperature. We observed D-r values and tested against a proposed scaling law, in which the translational diffusion coefficient D-r of water within a porous matrix was found to depend solely on two single parameters, a temperature-independent translational diffusion coefficient D-c associated with the water bound to the pore walls and the ratio theta of this strictly confined water to the total water inside the pore, yielding unique characteristic parameters for water transport in these carbon channels across the investigated temperature range.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1261452
Alternate ID(s):
OSTI ID: 1195687
Journal Information:
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, Vol. 92, Issue 1; ISSN 1539-3755
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 21 works
Citation information provided by
Web of Science

References (46)

Mean square displacement evaluation by elastic neutron scattering self-distribution function journal June 2008
Surface Strain Effects on the Water–Graphene Interfacial and Confinement Behavior journal August 2014
Elucidating the porous structure of activated carbon fibers using direct and indirect methods journal January 1996
Dynamics of deeply supercooled interfacial water journal December 2014
Quasielastic neutron scattering study of water confined in carbon nanopores journal July 2011
Effect of surface chemistry on the thermodynamics and conductivity of water in silica nanopores journal February 2007
Combining Nitrogen, Argon, and Water Adsorption for Advanced Characterization of Ordered Mesoporous Carbons (CMKs) and Periodic Mesoporous Organosilicas (PMOs) journal November 2013
Freezing of Water Confined at the Nanoscale journal July 2012
Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores journal May 2012
Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments
  • Arnold, O.; Bilheux, J. C.; Borreguero, J. M.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.07.029
journal November 2014
Neutron Scattering Study on Dynamics of Water Molecules in MCM-41. 2. Determination of Translational Diffusion Coefficient journal June 2005
The structural change of graphitization-controlled microporous carbon upon adsorption of H2O and N2 journal April 1992
Intrapore field‐dependent micropore filling of supercritical N 2 in slit‐shaped micropores journal December 1992
Observation of a dynamic crossover in water confined in double-wall carbon nanotubes journal August 2007
Water adsorption with hysteresis effect onto microporous activated carbon fabrics journal September 2007
Enhanced translational diffusion of confined water under electric field journal August 2012
Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations journal April 2011
Water in porous carbons journal August 2001
Non-symmetrical dielectric relaxation behaviour arising from a simple empirical decay function journal January 1970
Water self-diffusion through narrow oxygenated carbon nanotubes journal October 2007
Origin of superhigh surface area and microcrystalline graphitic structures of activated carbons journal January 1992
Scaling behaviour for the water transport in nanoconfined geometries journal April 2014
Dynamics of water in confined space (porous alumina): QENS study journal August 2001
Fragile-to-strong liquid transition in deeply supercooled confined water journal January 2004
Measurements of hydrophobic and hydrophilic surface sites by flow microcalorimetry journal October 1993
Structural and dynamic studies of water in mesoporous silicas using neutron scattering and nuclear magnetic resonance journal October 2004
Phase separation in confined systems journal December 1999
Slow dynamics of supercooled water confined in nanoporous silica materials journal October 2004
High-resolution inelastic neutron scattering from water in mesoporous silica journal October 2002
Simulated water adsorption isotherms in carbon nanopores journal February 2004
Surface and pore structure characterisation by neutron scattering techniques journal July 1998
Liquid water can slip on a hydrophilic surface journal September 2011
Model for single-particle dynamics in supercooled water journal June 1999
An investigation of micro-brownian motions in polydimethylsiloxane by complementary incoherent-neutron-scattering and nuclear-magnetic-resonance experiments below room temperature journal March 1987
Experimental determination of the nature of diffusive motions of water molecules at low temperatures journal March 1985
Single-particle dynamics of water molecules in confined space journal May 1995
Low-temperature dynamics of water confined in a hydrophobic mesoporous material journal August 2010
Structure and dynamics of water confined in a nanoporous sol-gel silica glass: a neutron scattering study journal November 2003
Fundamentals of the theory of adsorption in micropores of carbon adsorbents: Characteristics of their adsorption properties and microporous structures journal January 1989
Characterization of Microporosity and Mesoporosity in Carbonaceous Materials by Scanning Tunneling Microscopy journal January 2001
Translational diffusion of water inside hydrophobic carbon micropores studied by neutron spectroscopy and molecular dynamics simulation journal February 2015
Relaxational dynamics of supercooled water in porous glass journal March 1999
Dynamics of water confined in single- and double-wall carbon nanotubes journal May 2006
Effects of confinement on freezing and melting journal January 2006
Quasielastic and inelastic neutron scattering investigation of fragile-to-strong crossover in deeply supercooled water confined in nanoporous silica matrices journal August 2006
A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS journal August 2011

Cited By (5)

Effect of pore geometry on nanoconfined water transport behavior journal May 2019
Nanoporous silica gel structures and evolution from reactive force field-based molecular dynamics simulations journal July 2018
Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution journal January 2020
Thermal transport phenomena in nanoparticle suspensions journal October 2016
Nano-metering of Solvated Biomolecules Or Nanoparticles from Water Self-Diffusivity in Bio-inspired Nanopores journal October 2019

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