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Title: Diffusion-to-Imbibition Transition in Water Sorption in Nanoporous Media: Theoretical Studies

Journal Article · · Water Resources Research
DOI:https://doi.org/10.1029/2021wr029720· OSTI ID:1844936

Abstract The ability to predict multiphase fluid transport in nanoporous rocks such as shales is critical for many geoscience applications, for example unconventional hydrocarbon production, geologic carbon sequestration, and nuclear waste disposal. When the pore sizes approach nanoscales, the impact of the molecular interaction forces between fluids and solids becomes increasingly important. These forces can alter macroscopic fluid phase behavior and control transport. Recent experimental studies have shown that capillary condensation and subsequent imbibition of liquid water can occur in hydrophilic nanoporous media even if the vapor phase is at a critical relative humidity (rh crit ) well below vapor saturation. This study presents a theoretical investigation of the processes controlling adsorption, capillary condensation and imbibition in nanoporous media, using the square‐gradient classical density functional theory. The proposed theoretical model explicitly includes the relevant interaction forces among fluids and solids in macroscopic porous media. Application of the model to a relative‐humidity‐controlled water adsorption experiment is presented to demonstrate the impact of water‐pore wall attractive forces on multiphase water behavior in a hydrophilic silicon nanoporous medium. The model represents well the measured time‐dependent evolution of the water imbibition front inside the nanoporous medium and also explains the diffusion‐like water transport regimes observed at rh < rh crit and the imbibition‐like flow regimes observed at rh > rh crit . The study furthermore gives an insight on hysteresis phenomenon in adsorption and desorption isotherms.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE
Grant/Contract Number:
AC02-05CH11231; DE‐AC02‐05CH11231
OSTI ID:
1844936
Alternate ID(s):
OSTI ID: 1787398
Journal Information:
Water Resources Research, Vol. 57, Issue 6; ISSN 0043-1397
Publisher:
American Geophysical Union (AGU)Copyright Statement
Country of Publication:
United States
Language:
English

References (38)

Gradient Theory of Surface Tension of Water journal August 1980
Semiempirical theory of surface tensions of pure normal alkanes and alcohols journal November 1978
Historical Perspective book January 2011
Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks journal November 2018
Molecular theory of surface tension journal May 1976
Dynamic behavior of hydration water in calcium-silicate-hydrate gel: A quasielastic neutron scattering spectroscopy investigation journal December 2012
Molecular theory of fluid interfaces journal December 1976
Diffusion in Binary Solutions. Variation of Diffusion Coefficient with Composition journal May 1966
Gradient theory of wetting transitions journal June 1982
Water Saturation Relations and Their Diffusion-Limited Equilibration in Gas Shale: Implications for Gas Flow in Unconventional Reservoirs: WATER SATURATION RELATIONS IN GAS SHALE journal November 2017
Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates journal February 2014
Experimental evidence of gas densification and enhanced storage in nanoporous shales journal April 2020
Pore-scale modeling of phase change in porous media journal August 2018
Molecular dynamics modeling of the structure, dynamics and energetics of mineral–water interfaces: Application to cement materials journal March 2007
Determination of the average pore-size and total porosity in porous silicon layers by image processing of SEM micrographs journal May 2016
Fluids adsorbed in narrow pores: phase equilibria and structure journal November 1990
Microstructure and texture of hydrated cement-based materials: A proton field cycling relaxometry approach journal March 2007
Diffusivity of rocks: Gas diffusion measurements and correlation to porosity and pore size distribution: GAS DIFFUSION AND ROCK POROSITY AND PORE SIZE journal February 2012
A Modified Redlich-Kwong-Soave Equation of State Capable of Representing the Liquid State journal November 1976
Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate 1H NMR PFG measurements journal January 2000
Viscosity and Wetting Property of Water Confined in Extended Nanospace Simultaneously Measured from Highly-Pressurized Meniscus Motion journal August 2012
Liquid Intake of Organic Shales journal August 2012
Capillary Condensation in 8 nm Deep Channels journal January 2018
Studies in the physical properties of soil. V. The hysteresis effect in capillary properties, and the modes of moisture distribution associated therewith journal January 1930
The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use journal June 2002
Subcontinuum mass transport of condensed hydrocarbons in nanoporous media journal April 2015
Liquid–liquid equilibrium in a slit pore: Monte Carlo simulation and mean field density functional theory journal March 1995
Molecular simulation of water confined in nanoporous silica journal June 2010
Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage journal June 2014
Imbibition Triggered by Capillary Condensation in Nanopores journal February 2017
Imbibition and Water Blockage In Unconventional Reservoirs: Well-Management Implications During Flowback and Early Production journal November 2014
Multiphase flow and multicomponent reactive transport model of the ventilation experiment in Opalinus clay journal January 2008
Long-Range Interactions Restrict Water Transport in Pyrophyllite Interlayers journal April 2016
Adsorption and Capillary Condensation-Induced Imbibition in Nanoporous Media journal June 2019
Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory journal September 2012
What Happens to Permeability at the Nanoscale? A Molecular Dynamics Simulation Study conference January 2017
Local diffusion coefficient measurements in shale using dynamic micro-computed tomography journal November 2017
Phase transitions in a cylindrical pore: Grand canonical Monte Carlo, mean field theory and the Kelvin equation journal September 1987

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