Transition in a numerical model of contact line dynamics and forced dewetting

Abstract We investigate the transition to a Landau–Levich–Derjaguin film in forced dewetting using a quadtree adaptive solution to the Navier–Stokes equations with surface tension. We use a discretization of the capillary forces near the receding contact line that yields an equilibrium for a specified contact angle θ Δ , called the numerical contact angle. Despite the well-known contact line singularity, dynamic simulations can proceed without any explicit additional numerical procedure. We investigate angles from 15 ∘ to 110 ∘ and capillary numbers from 0.00085 to 0.2 where the mesh size Δ is varied in the range of 0.0035 to 0.06 of the capillary length l c . To interpret the results, we use Cox's theory which involves a microscopic distance r m and a microscopic angle θ e . In the numerical case, the equivalent of θ e is the angle θ Δ and we find that Cox's theory also applies. We introduce the scaling factor or gauge function ϕ so that r m = Δ / ϕ and estimate this gauge function by comparing our numerics to Cox's theory. The comparison provides a direct assessment of the agreement of the numerics with Cox's theory and reveals a critical feature of the numerical treatment of contact line dynamics: agreement is poor at small angles while it is better at large angles. This scaling factor is shown to depend only on θ Δ and the viscosity ratio q. In the case of small θ e , we use the prediction by Eggers [Phys. Rev. Lett. 93 (2004) 094502] of the critical capillary number for the Landau–Levich–Derjaguin forced dewetting transition. We generalize this prediction to large θ e and arbitrary q and express the critical capillary number as a function of θ e and r m . This implies also a prediction of the critical capillary number for the numerical case as a function of θ Δ and ϕ. The theory involves a logarithmically small parameter ϵ = 1 / ln ⁡ ( l c / r m ) and is thus of moderate accuracy. The numerical results are however in approximate agreement in the general case, while good agreement is reached in the small θ Δ and q case. An analogy can be drawn between the numerical contact angle condition and a regularization of the Navier–Stokes equation by a partial Navier-slip model. The analogy leads to a value for the numerical length scale r m proportional to the slip length. Thus the microscopic length found in the simulations is a kind of numerical slip length in the vicinity of the contact line. The knowledge of this microscopic length scale and the associated gauge function can be used to realize grid-independent simulations that could be matched to microscopic physics in the region of validity of Cox's theory.

[1]  Gretar Tryggvason,et al.  Direct numerical simulations of gas/liquid multiphase flows , 2011 .

[2]  Jacopo Buongiorno,et al.  Detection of liquid–vapor–solid triple contact line in two-phase heat transfer phenomena using high-speed infrared thermometry , 2010 .

[3]  Jung-Tai Lin,et al.  Wakes in Stratified Fluids , 1979 .

[4]  Yi Sui,et al.  An efficient computational model for macroscale simulations of moving contact lines , 2013, J. Comput. Phys..

[5]  J. Eggers Hydrodynamic theory of forced dewetting. , 2003, Physical review letters.

[6]  Olivier Devauchelle,et al.  Forced dewetting on porous media , 2005, Journal of Fluid Mechanics.

[7]  J. E. Sprittles,et al.  Finite element simulation of dynamic wetting flows as an interface formation process , 2012, J. Comput. Phys..

[8]  Shahriar Afkhami,et al.  A volume of fluid method for simulating fluid/fluid interfaces in contact with solid boundaries , 2014, J. Comput. Phys..

[9]  Zhou,et al.  Immiscible-fluid displacement: Contact-line dynamics and the velocity-dependent capillary pressure. , 1992, Physical review. A, Atomic, molecular, and optical physics.

[10]  Sandro Manservisi,et al.  On the properties and limitations of the height function method in two-dimensional Cartesian geometry , 2011, J. Comput. Phys..

[11]  C. Tropea,et al.  Microfluidics: The no-slip boundary condition , 2005, cond-mat/0501557.

[12]  O. Voinov Hydrodynamics of wetting , 1976 .

[13]  P E King-Smith,et al.  Tear film dynamics with evaporation, wetting, and time-dependent flux boundary condition on an eye-shaped domain. , 2014, Physics of fluids.

[14]  T. N. Stevenson,et al.  Fluid Mechanics , 2021, Nature.

[15]  R. Scardovelli,et al.  A variational approach to the contact angle dynamics of spreading droplets , 2009 .

[16]  Pierre-Yves Lagrée,et al.  The granular column collapse as a continuum: validity of a two-dimensional Navier–Stokes model with a μ(I)-rheology , 2011, Journal of Fluid Mechanics.

[17]  T. Blake The physics of moving wetting lines. , 2006, Journal of colloid and interface science.

[18]  J. Buongiorno,et al.  Dynamics of the Liquid Microlayer Underneath a Vapor Bubble Growing at a Heated Wall , 2013 .

[19]  Markus Bussmann,et al.  Height functions for applying contact angles to 3D VOF simulations , 2009 .

[20]  L. Scriven,et al.  Hydrodynamic Model of Steady Movement of a Solid / Liquid / Fluid Contact Line , 1971 .

[21]  Oleg Weinstein,et al.  Scale Dependence of Contact Line Computations , 2006 .

[22]  Stéphane Popinet,et al.  An accurate adaptive solver for surface-tension-driven interfacial flows , 2009, J. Comput. Phys..

[23]  Dominique Legendre,et al.  Comparison between numerical models for the simulation of moving contact lines , 2015 .

[24]  S. Popinet Numerical Models of Surface Tension , 2018 .

[25]  Y. Shikhmurzaev Moving contact lines in liquid/liquid/solid systems , 1997, Journal of Fluid Mechanics.

[26]  James J. Feng,et al.  Wall energy relaxation in the Cahn–Hilliard model for moving contact lines , 2009 .

[27]  Hang Ding,et al.  Numerical Simulations of Flows with Moving Contact Lines , 2014 .

[28]  L. Landau,et al.  Dragging of a Liquid by a Moving Plate , 1988 .

[29]  T. Blake,et al.  Experimental evidence of nonlocal hydrodynamic influence on the dynamic contact angle , 1999 .

[30]  Pierre Seppecher,et al.  Moving contact lines in the Cahn-Hilliard theory , 1996 .

[31]  D. Bonn,et al.  Wetting and Spreading , 2009 .

[32]  Yves Pomeau,et al.  Contact line moving on a solid , 2011 .

[33]  Mark C. T. Wilson,et al.  Nonlocal hydrodynamic influence on the dynamic contact angle: slip models versus experiment. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

[34]  S. Popinet Gerris: a tree-based adaptive solver for the incompressible Euler equations in complex geometries , 2003 .

[35]  B. Andreotti,et al.  Moving Contact Lines: Scales, Regimes, and Dynamical Transitions , 2013 .

[36]  Pomeau,et al.  Disjoining potential and spreading of thin liquid layers in the diffuse-interface model coupled to hydrodynamics , 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[37]  P. Spelt A level-set approach for simulations of flows with multiple moving contact lines with hysteresis , 2005 .

[38]  R. G. Cox The dynamics of the spreading of liquids on a solid surface. Part 1. Viscous flow , 1986, Journal of Fluid Mechanics.

[39]  Jens Eggers,et al.  Existence of receding and advancing contact lines , 2005 .

[40]  Jacco H. Snoeijer Free-surface flows with large slopes: Beyond lubrication theory , 2006 .

[41]  T. Blake,et al.  Kinetics of displacement , 1969 .

[42]  O. Voinov,et al.  Wetting: Inverse Dynamic Problem and Equations for Microscopic Parameters. , 2000, Journal of colloid and interface science.

[43]  Hang Ding,et al.  Wetting condition in diffuse interface simulations of contact line motion. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

[44]  L. M. Hocking A moving fluid interface on a rough surface , 1976, Journal of Fluid Mechanics.

[45]  J. A. Moriarty,et al.  Effective slip in numerical calculations of moving-contact-line problems , 1992 .

[46]  Patrick Tabeling,et al.  Direct measurement of the apparent slip length. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

[47]  B. V. Derjaguin,et al.  On the thickness of a layer of liquid remaining on the walls of vessels after their emptying, and the theory of the application of photoemulsion after coating on the cine film (presented by academician A.N. Frumkin on July 28, 1942) , 1993 .

[48]  Jens Eggers,et al.  Toward a description of contact line motion at higher capillary numbers , 2004 .

[49]  Sigurd Wagner,et al.  Selective dip-coating of chemically micropatterned surfaces , 2000 .

[50]  Ivan Lunati,et al.  Experimental characterization of nonwetting phase trapping and implications for geologic CO2 sequestration , 2015 .

[51]  Ruben Scardovelli,et al.  Corrigendum to "Transition in a numerical model of contact line dynamics and forced dewetting" [J. Comput. Phys. 374 (2018) 1061-1093] , 2019, J. Comput. Phys..

[52]  E. B. Dussan,et al.  LIQUIDS ON SOLID SURFACES: STATIC AND DYNAMIC CONTACT LINES , 1979 .

[53]  H. P. Greenspan,et al.  On the motion of a small viscous droplet that wets a surface , 1978, Journal of Fluid Mechanics.

[54]  P. Gao,et al.  Asymptotic theory of fluid entrainment in dip coating , 2018, Journal of Fluid Mechanics.

[55]  S. Zaleski,et al.  DIRECT NUMERICAL SIMULATION OF FREE-SURFACE AND INTERFACIAL FLOW , 1999 .

[56]  S. Afkhami,et al.  Height functions for applying contact angles to 2D VOF simulations , 2008 .

[57]  Brian Duffy,et al.  A third-order differential equation arising in thin-film flows and relevant to Tanner's Law , 1997 .

[58]  Stéphane Zaleski,et al.  A mesh-dependent model for applying dynamic contact angles to VOF simulations , 2008, J. Comput. Phys..

[59]  Hamdi A. Tchelepi,et al.  Level-set method for accurate modeling of two-phase immiscible flow with moving contact lines , 2017, 1708.04771.

[60]  Jens Eggers,et al.  Contact line motion for partially wetting fluids. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

[61]  J. Li,et al.  Numerical simulation of moving contact line problems using a volume-of-fluid method , 2001 .

[62]  Tak Shing Chan,et al.  Theory of the forced wetting transition , 2012 .

[63]  R. G. Cox The dynamics of the spreading of liquids on a solid surface. Part 2. Surfactants , 1986, Journal of Fluid Mechanics.