Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models

Xia, Yidong; Rao, Qi; Hamed, Ahmed; Kane, Joshua; Semeykina, Viktoriya; Zharov, Ilya; Deo, Milind; Li, Zhen

doi:10.1021/acs.langmuir.2c01038

Flow Reduction in Pore Networks of Packed Silica Nanoparticles: Insights from Mesoscopic Fluid Models

Journal Article · Wed Jun 22 00:00:00 EDT 2022 · Langmuir

DOI:https://doi.org/10.1021/acs.langmuir.2c01038· OSTI ID:1883362

^[1]; Rao, Qi ^[2]; Hamed, Ahmed ^[2]; Kane, Joshua ^[2]; ^[3]; ^[3]; ^[3]; ^[4]

Idaho National Lab. (INL), Idaho Falls, ID (United States); University of Utah
Idaho National Lab. (INL), Idaho Falls, ID (United States)
Univ. of Utah, Salt Lake City, UT (United States)
Clemson Univ., SC (United States)

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.

View Accepted Manuscript (DOE)

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

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

Grant/Contract Number:: AC07-05ID14517; SC0019285

OSTI ID:: 1883362

Journal Information:: Langmuir, Journal Name: Langmuir Journal Issue: 26 Vol. 38; ISSN 0743-7463

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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