Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models
Abstract
A modified many-body dissipative particle dynamics (mDPD) model is rigorously calibrated to achieve realistic fluid–fluid/solid interphase properties and applied for mesoscale flow simulations to elucidate the transport mechanisms of heptane liquid and water, respectively, through pore networks formed by packed silica nanoparticles with a uniform diameter of 30 nm. Two million CPU core hours were used to complete the simulation studies. Results show reduction of permeability by 54–64% in heptane flow and by 88–91% in water flow, respectively, compared to the Kozeny–Carman equation. In these nanopores, a large portion of the fluids are in the near-wall regions and thus not mobile due to the confinement effect, resulting in reduced hydraulic conductivity. Moreover, intense oscillations in the calculated flow velocities also indicate the confinement effect that contests the external driven force to flow. Here, the generic form of Darcy’s law is considered valid for flow through homogeneous nanopore networks, while permeability depends collectively on pore size and surface wettability. This fluid-permeability dependency is unique to flow in nanopores. In addition, potential dependence of permeability on pore connectivity is observed when the porosity remains the same in different core specimens.
- Authors:
-
[1];
[2];
[2];
[2];
[3]
- Idaho National Lab. (INL), Idaho Falls, ID (United States)
- Univ. of Utah, Salt Lake City, UT (United States)
- Clemson Univ., SC (United States)
- Publication Date:
- Research Org.:
- Univ. of Utah, Salt Lake City, UT (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1883362
- Grant/Contract Number:
- SC0019285; AC07-05ID14517
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Langmuir
- Additional Journal Information:
- Journal Volume: 38; Journal Issue: 26; Journal ID: ISSN 0743-7463
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Xia, Yidong, Rao, Qi, Hamed, Ahmed, Kane, Joshua, Semeykina, Viktoriya, Zharov, Ilya, Deo, Milind, and Li, Zhen. Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models. United States: N. p., 2022.
Web. doi:10.1021/acs.langmuir.2c01038.
Xia, Yidong, Rao, Qi, Hamed, Ahmed, Kane, Joshua, Semeykina, Viktoriya, Zharov, Ilya, Deo, Milind, & Li, Zhen. Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models. United States. https://doi.org/10.1021/acs.langmuir.2c01038
Xia, Yidong, Rao, Qi, Hamed, Ahmed, Kane, Joshua, Semeykina, Viktoriya, Zharov, Ilya, Deo, Milind, and Li, Zhen. Wed .
"Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models". United States. https://doi.org/10.1021/acs.langmuir.2c01038. https://www.osti.gov/servlets/purl/1883362.
@article{osti_1883362,
title = {Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models},
author = {Xia, Yidong and Rao, Qi and Hamed, Ahmed and Kane, Joshua and Semeykina, Viktoriya and Zharov, Ilya and Deo, Milind and Li, Zhen},
abstractNote = {A modified many-body dissipative particle dynamics (mDPD) model is rigorously calibrated to achieve realistic fluid–fluid/solid interphase properties and applied for mesoscale flow simulations to elucidate the transport mechanisms of heptane liquid and water, respectively, through pore networks formed by packed silica nanoparticles with a uniform diameter of 30 nm. Two million CPU core hours were used to complete the simulation studies. Results show reduction of permeability by 54–64% in heptane flow and by 88–91% in water flow, respectively, compared to the Kozeny–Carman equation. In these nanopores, a large portion of the fluids are in the near-wall regions and thus not mobile due to the confinement effect, resulting in reduced hydraulic conductivity. Moreover, intense oscillations in the calculated flow velocities also indicate the confinement effect that contests the external driven force to flow. Here, the generic form of Darcy’s law is considered valid for flow through homogeneous nanopore networks, while permeability depends collectively on pore size and surface wettability. This fluid-permeability dependency is unique to flow in nanopores. In addition, potential dependence of permeability on pore connectivity is observed when the porosity remains the same in different core specimens.},
doi = {10.1021/acs.langmuir.2c01038},
journal = {Langmuir},
number = 26,
volume = 38,
place = {United States},
year = {Wed Jun 22 00:00:00 EDT 2022},
month = {Wed Jun 22 00:00:00 EDT 2022}
}
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