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  • 1.
    Lācis, Ugis
    et al.
    FLOW Centre, Department of Engineering Mechanics KTH, Stockholm, Sweden; FOTONIKA-LV, Institute of Atomic Physics and Spectroscopy, University of Latvia, Riga, Latvia.
    Pellegrino, Michele
    Swedish e-Science Research Centre, Science for Life Laboratory, Department of Applied Physics KTH, Stockholm, Sweden.
    Sundin, Johan
    FLOW Centre, Department of Engineering Mechanics KTH, Stockholm, Sweden.
    Amberg, Gustav
    Södertörn University. FLOW Centre, Department of Engineering Mechanics KTH, Stockholm, Sweden.
    Zaleski, Stéphane
    Sorbonne Université and CNRS, Institut Jean Le Rond ’Alembert, Paris, France; Institut Universitaire de France, Paris, France.
    Hess, Berk
    Swedish e-Science Research Centre, Science for Life Laboratory, Department of Applied Physics KTH, Stockholm, Sweden.
    Bagheri, Shervin
    FLOW Centre, Department of Engineering Mechanics KTH, Stockholm, Sweden.
    Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics2022In: Journal of Fluid Mechanics, ISSN 0022-1120, E-ISSN 1469-7645, Vol. 940, article id A10Article in journal (Refereed)
    Abstract [en]

    The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of molecular motion close to the contact line. Here, we characterize the molecular processes of the moving contact line to assess the accuracy of two different continuum two-phase models. Specifically, molecular dynamics simulations of a two-dimensional droplet between two moving plates are used to create reference data for different capillary numbers and contact angles. We use a simple-point-charge/extended water model. This model provides a very small slip and a more realistic representation of the molecular physics than Lennard-Jones models. The Cahn-Hilliard phase-field model and the volume-of-fluid model are calibrated against the drop displacement from molecular dynamics reference data. It is shown that the calibrated continuum models can accurately capture droplet displacement and droplet break-up for different capillary numbers and contact angles. However, we also observe differences between continuum and atomistic simulations in describing the transient and unsteady droplet behaviour, in particular, close to dynamical wetting transitions. The molecular dynamics of the sheared droplet provide insight into the line friction experienced by the advancing and receding contact lines. The presented results will serve as a stepping stone towards developing accurate continuum models for nanoscale hydrodynamics.

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  • 2.
    Ogden, S.
    et al.
    Uppsala University.
    Boden, R.
    Uppsala University.
    Do-Quang, Minh
    KTH.
    Wu, Z. G.
    Uppsala University.
    Amberg, Gustav
    KTH.
    Hjort, K.
    Uppsala University.
    Fluid behavior of supercritical carbon dioxide with water in a double-Y-channel microfluidic chip2014In: Microfluidics and Nanofluidics, ISSN 1613-4982, E-ISSN 1613-4990, Vol. 17, no 6, p. 1105-1112Article in journal (Refereed)
    Abstract [en]

    The use of supercritical carbon dioxide (scCO(2)) as an apolar solvent has been known for decades. It offers a greener approach than, e.g., hexane or chloroform, when such solvents are needed. The use of scCO(2) in microsystems, however, has only recently started to attract attention. In microfluidics, the flow characteristics need to be known to be able to successfully design such components and systems. As supercritical fluids exhibit the exciting combination of low viscosity, high density, and high diffusion rates, the fluidic behavior is not directly transferrable from aqueous systems. In this paper, three flow regimes in the scCO(2)-liquid water two-phase microfluidic system have been mapped. The effect of both total flow rate and relative flow rate on the flow regime is evaluated. Furthermore, the droplet dynamics at the bifurcating exit channel are analyzed at different flow rates. Due to the low viscosity of scCO(2), segmented flows were observed even at fairly high flow rates. Furthermore, the carbon dioxide droplet behavior exhibited a clear dependence on both flow rate and droplet length.

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