Roles of energy dissipation and asymmetric wettability in spontaneous imbibition dynamics in a nanochannel.

HYPOTHESIS

The imbibition dynamics is controlled by energy dissipation mechanisms and influenced by asymmetric wettability in a nanochannel. We hypothesize that the imbibition dynamics can be described by a combined model of the Lucas-Washburn equation and the Cox-Voinov law considering velocity-dependent contact angles.

METHODS

Molecular dynamics simulations are utilized to investigate the imbibition dynamics. A wide range of wetting conditions is achieved via adjusting the liquid-solid interaction parameters, and the spontaneous imbibition processes are quantified and compared.

FINDINGS

The critical condition for the occurrence of spontaneous imbibition is analyzed from a surface energy perspective. The analyses of energy conversion and dissipation indicate that the viscous dissipation is dominant during spontaneous imbibition. The classical Lucas-Washburn equation is modified with the Cox-Voinov law considering the effect of the dynamic contact angle and an effective equilibrium contact angle. We show that the proposed theory well captures the imbibition dynamics embodied in the growth of imbibition length as well as the transient interface shape and velocity for both the symmetric and asymmetric wetting conditions. In nanochannels with asymmetric wettability, the imbibition length difference between the sidewalls and interface oscillations increases with wetting disparity. Our findings deepen the understanding of imbibition dynamics on the nanoscale, and provide a theoretical reference for relevant applications.