Upscaled phase-field models for interfacial dynamics in strongly heterogeneous domains

We derive a new, effective macroscopic Cahn–Hilliard equation whose homogeneous free energy is represented by fourth-order polynomials, which form the frequently applied double-well potential. This upscaling is done for perforated/strongly heterogeneous domains. To the best knowledge of the authors, this seems to be the first attempt of upscaling the Cahn–Hilliard equation in such domains. The new homogenized equation should have a broad range of applicability owing to the well-known versatility of phase-field models. The additionally introduced feature of systematically and reliably accounting for confined geometries by homogenization allows for new modelling and numerical perspectives in both science and engineering. Our results are applied to wetting dynamics in porous media and to a single channel with strongly heterogeneous walls.

[1]  M. Bazant,et al.  Theory of sorption hysteresis in nanoporous solids: Part I: Snap-through instabilities , 2011, 1108.4949.

[2]  Serafim Kalliadasis,et al.  Disorder-induced hysteresis and nonlocality of contact line motion in chemically heterogeneous microchannels , 2012 .

[3]  John H. Cushman,et al.  Macroscale Thermodynamics and the Chemical Potential for Swelling Porous Media , 1997 .

[4]  Markus Schmuck,et al.  First error bounds for the porous media approximation of the Poisson‐Nernst‐Planck equations , 2012 .

[5]  R. N. Wenzel RESISTANCE OF SOLID SURFACES TO WETTING BY WATER , 1936 .

[6]  A. DeSimone,et al.  Wetting of rough surfaces: a homogenization approach , 2005, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[7]  Intrinsic versus superrough anomalous scaling in spontaneous imbibition. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

[8]  Paul Papatzacos,et al.  Macroscopic Two-phase Flow in Porous Media Assuming the Diffuse-interface Model at Pore Level , 2002 .

[9]  S. Kalliadasis,et al.  Equilibrium gas–liquid–solid contact angle from density-functional theory , 2010, Journal of Fluid Mechanics.

[10]  C. Eck,et al.  ON A PHASE-FIELD MODEL FOR ELECTROWETTING , 2009 .

[11]  Amy Novick-Cohen,et al.  On Cahn-Hilliard type equations , 1990 .

[12]  H. Brenner,et al.  Multiphase Flow in Porous Media , 1988 .

[13]  Dougherty,et al.  Self-affine fractal interfaces from immiscible displacement in porous media. , 1989, Physical review letters.

[14]  Mikko Alava,et al.  Imbibition in disordered media , 2004 .

[15]  Liquid Conservation and Nonlocal Interface Dynamics in Imbibition , 1999, cond-mat/9907394.

[16]  Alain Damlamian,et al.  Two-Scale Convergence On Periodic Surfaces And Applications , 1995 .

[17]  V. Zhikov,et al.  Homogenization of Differential Operators and Integral Functionals , 1994 .

[18]  Pressure-dependent scaling scenarios in experiments of spontaneous imbibition. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

[19]  Ilpo Vattulainen,et al.  Novel Methods in Soft Matter Simulations , 2013 .

[20]  A Model for Multiphase and Multicomponent Flow in Porous Media, Built on the Diffuse-Interface Assumption , 2010 .

[21]  Jean-Louis Auriault,et al.  Effective Diffusion Coefficient: From Homogenization to Experiment , 1997 .

[22]  M. Sahimi Flow phenomena in rocks : from continuum models to fractals, percolation, cellular automata, and simulated annealing , 1993 .

[23]  Charles-Michel Marle,et al.  On macroscopic equations governing multiphase flow with diffusion and chemical reactions in porous media , 1982 .

[24]  S. Herminghaus,et al.  Nonlocal dynamics of spontaneous imbibition fronts. , 2002, Physical review letters.

[25]  Reinhold Pregla,et al.  Analysis of Periodic Structures , 2008 .

[26]  T. Ala‐Nissila,et al.  Influence of disorder strength on phase-field models of interfacial growth. , 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

[27]  Peter H. Nelson,et al.  Self-diffusion in single-file zeolite membranes is Fickian at long times , 1999 .

[28]  M. Bazant,et al.  Theory of sorption hysteresis in nanoporous solids: Part II Molecular condensation , 2011, 1111.4759.

[29]  J. E. Hilliard,et al.  Free Energy of a Nonuniform System. I. Interfacial Free Energy , 1958 .

[30]  Phase-field modeling of dynamical interface phenomena in fluids , 2004 .

[31]  Grigorios A. Pavliotis,et al.  Multiscale Methods: Averaging and Homogenization , 2008 .

[32]  A. Cassie,et al.  Wettability of porous surfaces , 1944 .

[33]  Christof Eck,et al.  On a phase-field model for electrowetting , 2009 .

[34]  J. E. Hilliard,et al.  Free Energy of a Nonuniform System. I. Interfacial Free Energy and Free Energy of a Nonuniform System. III. Nucleation in a Two‐Component Incompressible Fluid , 2013 .

[35]  A. Hernández-Machado,et al.  Pinning and avalanches in hydrophobic microchannels. , 2011, Physical review letters.

[36]  Scaling properties of pinned interfaces in fractal media. , 2003, Physical review letters.

[37]  Markus Schmuck,et al.  Homogenization of a catalyst layer model for periodically distributed pore geometries in PEM fuel cells , 2012, 1204.6698.

[38]  Dynamics and kinetic roughening of interfaces in two-dimensional forced wetting , 2005, cond-mat/0504721.

[39]  Errico Presutti,et al.  Scaling Limits in Statistical Mechanics and Microstructures in Continuum Mechanics , 2008 .

[40]  Y. Pomeau,et al.  Sliding drops in the diffuse interface model coupled to hydrodynamics. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

[41]  Andrea L. Bertozzi,et al.  Inpainting of Binary Images Using the Cahn–Hilliard Equation , 2007, IEEE Transactions on Image Processing.

[42]  M. Muskat,et al.  The Flow of Heterogeneous Fluids Through Porous Media , 1936 .

[43]  A. Miranville Generalized Cahn-Hilliard equations based on a microforce balance , 2003 .

[44]  John W. Barrett,et al.  Finite element approximation of the Cahn-Hilliard equation with concentration dependent mobility , 1999, Math. Comput..

[45]  A. M. Lacasta,et al.  Interface roughening in Hele-Shaw flows with quenched disorder: Experimental and theoretical results , 2001 .

[46]  J. Gibbs On the equilibrium of heterogeneous substances , 1878, American Journal of Science and Arts.

[47]  Axel Voigt,et al.  Phase-field modeling of the dynamics of multicomponent vesicles: Spinodal decomposition, coarsening, budding, and fission. , 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.