journal article·2022-07-05Open access

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

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

Langmuir· Volume 38· Issue 26

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. 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.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Nanopore and Nanochannel Transport Studies · Block Copolymer Self-Assembly · Theoretical and Computational Physics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Energy and Environment Science and Technology, Idaho National Laboratory, Idaho Falls, Idaho 83415, United States

Materials and Fuels Complex, Idaho National Laboratory, Idaho Falls, Idaho 83415, United States

Department of Chemistry, The University of Utah, Salt Lake City, Utah 84112, United States

Department of Chemical Engineering, The University of Utah, Salt Lake City, Utah 84112, United States

Department of Mechanical Engineering, Clemson University, Clemson, South Carolina 29634, United States

Funding

Basic Energy Sciences

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