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Abstract To optimize CO2 EOR operations, such as Huff and Puff (HnP), it is necessary to have a good understanding of oil- CO2 transport both at nanopore and at reservoir scales. In this study, experiments were performed to investigate how pore adsorbed CO2 can mediate oil flow in analog nanopore arrays. These experiments quantified how much interfacial CO2 contributed to improving permeability to oil in nanopores, in addition to increasing mobility by viscosity reduction. The experimental procedure involved flowing C10 (decane) with and without CO2 through an Anodic Aluminum Oxide (AAO) membrane at a defined differential pressure and recording flow rate. Viscosity obtained from correlations was then used to calculate membrane pore permeability. Inlet pump pressure was lower than the oil-CO2 miscibility pressure at the test conditions. Pore permeability improvement due to pore wall adsorbed CO2 was computed by isolating the effect of viscosity reduction of the bulk fluid. An overall pore-permeability increase of 15% was observed in the CO2 and C10 mixture experiments compared to the C10-only experiments, due to interfacial CO2. These results lend support to the previous molecular dynamics simulations, which predicted that interfacial CO2 can significantly modulate C10 flow in nanopores up to 10 nm diameter (Moh et al. 2020). Some differences from the molecular dynamics simulations of Moh et al. (2020) observed in the experimental study also verify the potential contribution of other phenomena to the permeability enhancement of the nanoporous membrane in the presence of CO2. Therefore, this study provides further impetus for exploring the unique nanofluidic physics of oil and CO2 transport arising from CO2 at oil-wall interfaces. The demonstrated significance of the unique nanopore phenomena, which have not been observed and incorporated into large-scale flow models, emphasizes the importance of identifying and incorporating nanofluidic physics into commercial reservoir simulators' transport models for better representation of CO2 and oil flow in unconventional reservoirs.
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Coarse-grained molecular simulation of extracellular vesicle squeezing for drug loading
In recent years, extracellular vesicles have become promising carriers as next-generation drug delivery platforms. Effective loading of exogenous cargos without compromising the extracellular vesicle membrane is a major challenge. Rapid squeezing through nanofluidic channels is a widely used approach to load exogenous cargoes into the EV through the nanopores generated temporarily on the membrane. However, the exact mechanism and dynamics of nanopore opening, as well as cargo loading through nanopores during the squeezing process remains unknown and it is impossible to visualize or quantify it experimentally due to the small size of the EV and the fast transient process. This paper developed a systemic algorithm to simulate nanopore formation and predict drug loading during extracellular vesicle (EV) squeezing by leveraging the power of coarse-grain (CG) molecular dynamics simulations with fluid dynamics. The EV CG beads are coupled with implicit the fluctuating lattice Boltzmann solvent. The effects of EV properties and various squeezing test parameters, such as EV size, flow velocity, channel width, and length, on pore formation and drug loading efficiency are analyzed. Based on the simulation results, a phase diagram is provided as a design guide for nanochannel geometry and squeezing velocity to generate pores on the membrane without damaging the EV. This method can be utilized to optimize the nanofluidic device configuration and flow setup to obtain desired drug loading into EVs.
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- PAR ID:
- 10443297
- Date Published:
- Journal Name:
- Physical Chemistry Chemical Physics
- Volume:
- 25
- Issue:
- 17
- ISSN:
- 1463-9076
- Page Range / eLocation ID:
- 12308 to 12321
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/d3cp00387f
