Lattice Boltzmann simulations on the role of channel structure for reactive capillary infiltration

It is widely recognized that the structure of porous media is of relevance for a variety of mechanical and physical phenomena. The focus of the present work is on capillarity, a pore-scale process occurring at the micron scale. We attempt to characterize the influence of pore shape for capillary infiltration by means of Lattice Boltzmann simulations in 2D with reactive boundaries leading to surface growth and ultimately to pore closure. The systems under investigation consist of single channels with different simplified morphologies: namely, periodic profiles with sinusoidal, step-shaped and zig-zag walls, as well as constrictions and expansions with rectangular, convex and concave steps. This is a useful way to decompose the complexity of typical porous media into basic structures. The simulations show that the minimum radius alone fails to characterize properly the infiltration dynamics. The structure of the channels emerge as the dominant property controlling the process. A factor responsible for this behavior is identified as being the occurrence of pinning of the contact line. It turns out that the optimal configuration for the pore structure arises from the packing of large particles with round shapes. In this case, the probability to have flow paths wide and straight is higher. Faceted surfaces presenting sharp edges should be avoided because of the phenomenon of pinning near narrow-to-wide parts. This study is motivated by the infiltration of molten metals into carbon preforms. This is a manufacturing technique for ceramic components devised to advanced applications. Guidelines for experimental work are discussed.