Phase field simulation of liquid filling on grooved surfaces for complete, partial, and pseudo-partial wetting cases

• Published in: The Journal of chemical physics 2023-05, Vol.158 (20)
• Main Authors: Oktasendra, Fandi, Jusufi, Arben, Konicek, Andrew R., Yeganeh, Mohsen S., Panter, Jack R., Kusumaatmaja, Halim
• Format: Article
• Language: English
• Subjects: Contact angle; Contact pressure; Critical pressure; Grooves; Simulation; Vapor phases; Wetting
• ISSN: 0021-9606; 1089-7690
• DOI: 10.1063/5.0144886

We develop and harness a phase field simulation method to study liquid filling on grooved surfaces. We consider both short-range and long-range liquid–solid interactions, with the latter including purely attractive and repulsive interactions as well as those with short-range attraction and long-range repulsion. This allows us to capture complete, partial, and pseudo-partial wetting states, demonstrating complex disjoining pressure profiles over the full range of possible contact angles as previously proposed in the literature. Applying the simulation method to study liquid filling on grooved surfaces, we compare the filling transition for the three different classes of wetting states as we vary the pressure difference between the liquid and gas phases. The filling and emptying transitions are reversible for the complete wetting case, while significant hysteresis is observed for the partial and pseudo-partial cases. In agreement with previous studies, we also show that the critical pressure for the filling transition follows the Kelvin equation for the complete and partial wetting scenarios. Finally, we find the filling transition can display a number of distinct morphological pathways for the pseudo-partial wetting cases, as we demonstrate here for varying groove dimensions.