Effect of CO2 on the water slip flow at silica surfaces for nanometer slit pores of talc

Jin, Jiaqi; Asai, Pranay; Wang, Xuming; Atluri, Venkata; Miller, Jan D.; Deo, Milind

doi:10.1016/j.colsurfa.2024.134570

Effect of CO₂ on the water slip flow at silica surfaces for nanometer slit pores of talc

Journal Article · Wed Jun 19 00:00:00 EDT 2024 · Colloids and Surfaces. A, Physicochemical and Engineering Aspects

DOI:https://doi.org/10.1016/j.colsurfa.2024.134570· OSTI ID:2475645

^[1]; ^[1]; ^[1]; Atluri, Venkata ^[1]; Miller, Jan D. ^[1]; Deo, Milind ^[1]

University of Utah, Salt Lake City, UT (United States)

In our previous study, Molecular Dynamics (MD) simulated water flow with no dissolved gas in nanometer slit pores of the hydrophobic talc surfaces revealed a slip length of about 0.5 nm, which is close to the size of “water exclusion zone” but much less than experimental slip length. Atomic Force Microscopy (AFM) imaging confirmed the presence of pancake shape nanobubbles at the hydrophobic talc (001) surface (size from tens to hundreds of nanometers). The effect of CO₂ on water slip flow in talc nanopores is reported to reveal the importance of dissolved gas for confined fluid flow. MD simulated 7 nm CO₂ nanobubbles were found to attach and spread at the talc (001) surface, consistent with the AFM observation. Simulated CO₂ saturated water flow in the slit pores of talc (001) surfaces predicted the generation of CO₂ nanobubbles at the end of the slit pore, due to the stabilization of a CO₂ film at the talc (001) surfaces and a water barrier at the edge surfaces of talc. A “critical thickness” of about 1.5 nm was found for CO₂ nanobubbles to be stabilized at the end of the talc (001) surface. With 1.5 nm CO₂ nanobubbles at the talc (001) surface of a 6 nm slit pore, a water slip length of 1.8 nm was determined. Furthermore, the nanometer slit pore simulations with dissolved CO₂ in water revealed an increased slip length. It is expected that an increased slip length value would be found with an increased CO₂ film thickness.

View Accepted Manuscript (DOE)

Research Organization:: University of Utah, Salt Lake City, UT (United States)

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

Grant/Contract Number:: SC0019285

OSTI ID:: 2475645

Journal Information:: Colloids and Surfaces. A, Physicochemical and Engineering Aspects, Journal Name: Colloids and Surfaces. A, Physicochemical and Engineering Aspects Vol. 698; ISSN 0927-7757

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (31)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Flow in porous media I: A theoretical derivation of Darcy's law Whitaker, Stephen Transport in Porous Media, Vol. 1, Issue 1 https://doi.org/10.1007/BF01036523	journal	January 1986
Nanofluidics: what is it and what can we expect from it? Eijkel, Jan C. T.; Berg, Albert van den Microfluidics and Nanofluidics, Vol. 1, Issue 3 https://doi.org/10.1007/s10404-004-0012-9	journal	April 2005
Wetting of nanophases: Nanobubbles, nanodroplets and micropancakes on hydrophobic surfaces An, Hongjie; Liu, Guangming; Craig, Vincent S. J. Advances in Colloid and Interface Science, Vol. 222 https://doi.org/10.1016/j.cis.2014.07.008	journal	August 2015
Water intrusion/extrusion in hydrophobized mesoporous silica gel in a wide temperature range: Capillarity, bubble nucleation and line tension effects Grosu, Ya.; Ievtushenko, O.; Eroshenko, V. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 441 https://doi.org/10.1016/j.colsurfa.2013.10.022	journal	January 2014
Spatial characterization of heterogeneous nanopore surfaces from XCT scans of Niobrara shale Lin, Chen-Luh; Miller, Jan D. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 572 https://doi.org/10.1016/j.colsurfa.2019.03.081	journal	July 2019
Simulation and analysis of slip flow of water at hydrophobic silica surfaces of nanometer slit pores Jin, Jiaqi; Asai, Pranay; Wang, Xuming Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 626 https://doi.org/10.1016/j.colsurfa.2021.127032	journal	October 2021
The hydrophobic surface state of talc as influenced by aluminum substitution in the tetrahedral layer Atluri, Venkata; Jin, Jiaqi; Shrimali, Kaustubh Journal of Colloid and Interface Science, Vol. 536 https://doi.org/10.1016/j.jcis.2018.10.085	journal	February 2019
A molecular dynamics simulation study of water structure and adsorption states at talc surfaces Du, Hao; Miller, J. D. International Journal of Mineral Processing, Vol. 84, Issue 1-4 https://doi.org/10.1016/j.minpro.2006.09.008	journal	October 2007
Interfacial water structure and the wetting of mineral surfaces Miller, Jan D.; Wang, Xuming; Jin, Jiaqi International Journal of Mineral Processing, Vol. 156 https://doi.org/10.1016/j.minpro.2016.02.004	journal	November 2016
Experiments on transition in plane Couette flow Tillmark, Nils; Alfredsson, P. Henrik Journal of Fluid Mechanics, Vol. 235, Issue -1 https://doi.org/10.1017/S0022112092001046	journal	February 1992
Hydrophobic Solvation of Gases (CO ₂ , CH ₄ , H ₂ , Noble Gases) in Clay Interlayer Nanopores Gadikota, Greeshma; Dazas, Baptiste; Rother, Gernot The Journal of Physical Chemistry C, Vol. 121, Issue 47 https://doi.org/10.1021/acs.jpcc.7b09768	journal	November 2017
Attachment, Coalescence, and Spreading of Carbon Dioxide Nanobubbles at Pyrite Surfaces Vaziri Hassas, Behzad; Jin, Jiaqi; Dang, Liem X. Langmuir, Vol. 34, Issue 47 https://doi.org/10.1021/acs.langmuir.8b02929	journal	October 2018
Slip Flow in Colloidal Crystals for Ultraefficient Chromatography Wei, Bingchuan; Rogers, Benjamin J.; Wirth, Mary J. Journal of the American Chemical Society, Vol. 134, Issue 26 https://doi.org/10.1021/ja304177m	journal	June 2012
Viscosity of Aqueous CO₂Solutions Measured by Dynamic Light Scattering Uchida, Tsutomu; Ohmura, Ryo; Nagao, Jiro Journal of Chemical & Engineering Data, Vol. 48, Issue 5 https://doi.org/10.1021/je034041x	journal	June 2003
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K Mark, Pekka; Nilsson, Lennart The Journal of Physical Chemistry A, Vol. 105, Issue 43 https://doi.org/10.1021/jp003020w	journal	November 2001
Molecular Structure of the Water−Supercritical CO ₂ Interface da Rocha, Sandro R. P.; Johnston, Keith P.; Westacott, Robin E. The Journal of Physical Chemistry B, Vol. 105, Issue 48 https://doi.org/10.1021/jp012439z	journal	December 2001
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field Cygan, Randall T.; Liang, Jian-Jie; Kalinichev, Andrey G. The Journal of Physical Chemistry B, Vol. 108, Issue 4 https://doi.org/10.1021/jp0363287	journal	January 2004
Molecular Mechanism of CO ₂ and SO ₂ Molecules Binding to the Air/Liquid Interface of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Molecular Dynamics Study with Polarizable Potential Models Wick, Collin D.; Chang, Tsun-Mei; Dang, Liem X. The Journal of Physical Chemistry B, Vol. 114, Issue 46 https://doi.org/10.1021/jp106768y	journal	September 2010
Analysis of the Subcritical Carbon Dioxide−Water Interface Zhang, Hui; Singer, Sherwin J. The Journal of Physical Chemistry A, Vol. 115, Issue 23 https://doi.org/10.1021/jp200190k	journal	June 2011
Atomic Force Microscope Images of Nanobubbles on a Hydrophobic Surface and Corresponding Force−Separation Data Tyrrell, J. W. G.; Attard, P. Langmuir, Vol. 18, Issue 1 https://doi.org/10.1021/la0111957	journal	January 2002
On Fluid/Wall Slippage de Gennes, P. G. Langmuir, Vol. 18, Issue 9 https://doi.org/10.1021/la0116342	journal	April 2002
Slip Flow through Colloidal Crystals of Varying Particle Diameter Rogers, Benjamin J.; Wirth, Mary J. ACS Nano, Vol. 7, Issue 1 https://doi.org/10.1021/nn305028f	journal	December 2012
Sum frequency generation (SFG) study of the pH-dependent water structure on a fused quartz surface modified by an octadecyltrichlorosilane (OTS) monolayer Ye, Shen; Nihonyanagi, Satoshi; Uosaki, Kohei Physical Chemistry Chemical Physics, Vol. 3, Issue 16 https://doi.org/10.1039/b101673n	journal	January 2001
A generating mechanism for apparent fluid slip in hydrophobic microchannels Tretheway, Derek C.; Meinhart, Carl D. Physics of Fluids, Vol. 16, Issue 5 https://doi.org/10.1063/1.1669400	journal	May 2004
Hydraulic transport across hydrophilic and hydrophobic nanopores: Flow experiments with water and n -hexane Gruener, Simon; Wallacher, Dirk; Greulich, Stefanie Physical Review E, Vol. 93, Issue 1 https://doi.org/10.1103/PhysRevE.93.013102	journal	January 2016
Slip-flow lattice-Boltzmann simulations in ducts and porous media: A full rehabilitation of spurious velocities Aminpour, M.; Galindo-Torres, S. A.; Scheuermann, A. Physical Review E, Vol. 98, Issue 4 https://doi.org/10.1103/PhysRevE.98.043110	journal	October 2018
Images of Nanobubbles on Hydrophobic Surfaces and Their Interactions Tyrrell, James W. G.; Attard, Phil Physical Review Letters, Vol. 87, Issue 17 https://doi.org/10.1103/PhysRevLett.87.176104	journal	October 2001
Silica surface states and their wetting characteristics Jin, Jiaqi; Wang, Xuming; Wick, Collin D. Surface Innovations, Vol. 8, Issue 3 https://doi.org/10.1680/jsuin.19.00053	journal	February 2020
Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda Pyrak-Nolte, Laura J.; DePaolo, Donald J.; Pietraß, Tanja https://doi.org/10.2172/1283189	report	May 2015
AFM Slip Length Measurements for Water at Selected Phyllosilicate Surfaces Zhang, Chen; Wang, Xuming; Jin, Jiaqi Colloids and Interfaces, Vol. 5, Issue 4 https://doi.org/10.3390/colloids5040044	journal	October 2021

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Slit-pores

Effect of CO2 on the water slip flow at silica surfaces for nanometer slit pores of talc

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Effect of CO₂ on the water slip flow at silica surfaces for nanometer slit pores of talc