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Oil-Water Transport in Clay-Hosted Nanopores: Effects of Long-Range Electrostatic Forces
  • Hao Xiong,
  • Deepak Devegowda,
  • Liangliang Huang
Hao Xiong
University of Oklahoma Norman Campus
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Deepak Devegowda
University of Oklahoma
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Liangliang Huang
University of Oklahoma
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Abstract

Charged clay surfaces can impact the storage and mobility of hydrocarbon and water mixtures. Here, we use equilibrium molecular dynamics (MD) and nonequilibrium MD simulations to investigate hydrocarbon-water mixtures and their transport in slit-shaped illite nanopores. We construct two illite pore models with different surface chemistries: potassium-hydroxyl (PH) and hydroxyl-hydroxyl (HH) structures. In HH nanopore, we observe water adsorption on the clay surfaces. In PH nanopores, however, we observe the formation of water bridges because of the existence of a local, long-range electric field. Our NEMD simulations demonstrate that the velocity profiles across the pore depends strongly on water concentration, pore width and the presence or absence of the water bridge. This fundamental study provides a theoretical basis for understanding nanofluidics with charged surfaces and can be applied in such as biological processes, chemical and physical fields, and the oil and gas extraction in clay-rich formations.

Peer review status:ACCEPTED

09 Feb 2020Submitted to AIChE Journal
10 Feb 2020Submission Checks Completed
10 Feb 2020Assigned to Editor
19 Feb 2020Reviewer(s) Assigned
20 Mar 2020Editorial Decision: Revise Major
17 Apr 20201st Revision Received
24 Apr 2020Submission Checks Completed
24 Apr 2020Assigned to Editor
07 May 2020Reviewer(s) Assigned
15 May 2020Editorial Decision: Accept