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The Cassie–Baxter state of wetting explains a large equilibrium contact angle and the slippery dynamics of a water droplet on a superhydrophobic rough surface. It also causes a contact angle hysteresis (CAH) that cannot be fully described by dynamic wetting theories including the molecular kinetic theory (MKT). We analyze the contact line dynamics on a superhydrophobic surface in the framework of the MKT. Multi-body dissipative particle dynamics simulations of a capillary bridge confined between two rough surfaces under steady shear are performed. We find that, in addition to the contact line friction force from the MKT, an additional friction force contribution is needed on rough surfaces. It can be obtained by subtracting from the total friction force the force solely caused by the actual liquid–solid contact area. We find that the additional force is almost constant at all contact line velocities. Thus, it is directly related to the CAH. The CAH originates not only from contact line pinning but also from the shear flow due to the strong friction in the central region of the liquid–solid interface away from the contact line. The analysis of the particle flow inside the capillary bridge shows that liquid particles trapped in the grooves of the surface texture actually move with the same velocity as the surface and exert strong additional friction to other liquid particles. This work extends the MKT to rough surfaces, as well as to elucidate the origin of the CAH of a capillary bridge. The finding would help to better understand other situations of dynamic wetting on superhydrophobic surfaces. [ABSTRACT FROM AUTHOR]

A variety of linear polymer precursors with hydrogen bonding motifs at both ends enable us to design supramolecular polymer systems with tailored macroscopic properties including self-healing. In this study, we investigate thermodynamic properties of single polyethylene and polybutylene glycols with hydrogen bonding motifs. In this context, we first build a coarse-grained model of building blocks of the supramolecular polymer system based on all-atom molecular structures. The density of states of the single precursor is obtained using the stochastic approximation Monte Carlo method. Constructing canonical partition functions from the density of states, we find the transition from looped to open conformations at transition temperatures which are non-monotonously changing with an increasing degree of polymerization due to the competition between chain stiffness and loop-forming entropy penalty. In the complete range of chain length under investigation, a coexistence of the looped and open morphologies at the transition temperature is shown regardless of whether the transition is first-order-like or continuous. Polyethylene and polybutylene glycols show similar behavior in all the thermodynamic properties but the transition temperature of the more flexible polybutylene glycol is shown to change more gradually. [ABSTRACT FROM AUTHOR]