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Title: Supercritical CO 2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel

Abstract

We report a fluid flow in a nanochannel highly depends on the wettability of the channel surface to the fluid. The permeability of the nanochannel is usually very low, largely due to the adhesion of fluid at the solid interfaces. Using molecular dynamics (MD) simulations, we demonstrate that the flow of water in a nanochannel with rough hydrophilic surfaces can be significantly enhanced by the presence of a thin layer of supercritical carbon dioxide (scCO 2) at the water–solid interfaces. The thin scCO 2 layer acts like an atomistic lubricant that transforms a hydrophilic interface into a super-hydrophobic one and triggers a transition from a stick- to- a slip boundary condition for a nanoscale flow. Here, this work provides an atomistic insight into multicomponent interactions in nanochannels and illustrates that such interactions can be manipulated, if needed, to increase the throughput and energy efficiency of nanofluidic systems.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [1];  [3]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Geochemistry Department
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Waste Disposal Research and Analysis Department
  3. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Incident Response Program Department
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1483970
Alternate Identifier(s):
OSTI ID: 1478542
Report Number(s):
SAND-2018-11997J
Journal ID: ISSN 2040-3364; NANOHL; 668932
Grant/Contract Number:  
AC04-94AL85000; NA0003525; SC0001114
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 10; Journal Issue: 42; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats

Ho, Tuan A., Wang, Yifeng, Ilgen, Anastasia, Criscenti, Louise J., and Tenney, Craig M. Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel. United States: N. p., 2018. Web. doi:10.1039/C8NR06204H.
Ho, Tuan A., Wang, Yifeng, Ilgen, Anastasia, Criscenti, Louise J., & Tenney, Craig M. Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel. United States. doi:10.1039/C8NR06204H.
Ho, Tuan A., Wang, Yifeng, Ilgen, Anastasia, Criscenti, Louise J., and Tenney, Craig M. Tue . "Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel". United States. doi:10.1039/C8NR06204H.
@article{osti_1483970,
title = {Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel},
author = {Ho, Tuan A. and Wang, Yifeng and Ilgen, Anastasia and Criscenti, Louise J. and Tenney, Craig M.},
abstractNote = {We report a fluid flow in a nanochannel highly depends on the wettability of the channel surface to the fluid. The permeability of the nanochannel is usually very low, largely due to the adhesion of fluid at the solid interfaces. Using molecular dynamics (MD) simulations, we demonstrate that the flow of water in a nanochannel with rough hydrophilic surfaces can be significantly enhanced by the presence of a thin layer of supercritical carbon dioxide (scCO2) at the water–solid interfaces. The thin scCO2 layer acts like an atomistic lubricant that transforms a hydrophilic interface into a super-hydrophobic one and triggers a transition from a stick- to- a slip boundary condition for a nanoscale flow. Here, this work provides an atomistic insight into multicomponent interactions in nanochannels and illustrates that such interactions can be manipulated, if needed, to increase the throughput and energy efficiency of nanofluidic systems.},
doi = {10.1039/C8NR06204H},
journal = {Nanoscale},
issn = {2040-3364},
number = 42,
volume = 10,
place = {United States},
year = {2018},
month = {10}
}

Journal Article:
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Works referenced in this record:

Unimpeded Permeation of Water Through Helium-Leak-Tight Graphene-Based Membranes
journal, January 2012