This review is focused on molecular momentum transport at fluid-solid interfaces mainly related to microfluidics and nanofluidics in micro-/nano-electro-mechanical systems (MEMS/NEMS). This broad subject covers molecular dynamics behaviors, boundary conditions, molecular momentum accommodations, theoretical and phenomenological models in terms of gas-solid and liquid-solid interfaces affected by various physical factors, such as fluid and solid species, surface roughness, surface patterns, wettability, temperature, pressure, fluid viscosity and polarity. This review offers an overview of the major achievements, including experiments, theories and molecular dynamics simulations, in the field with particular emphasis on the effects on microfluidics and nanofluidics in nanoscience and nanotechnology. In Section 1 we present a brief introduction on the backgrounds, history and concepts. Sections 2 and 3 are focused on molecular momentum transport at gas-solid and liquid-solid interfaces, respectively. Summary and conclusions are finally presented in Section 4.
The temperature dependence of the tangential momentum accommodation coefficient (TMAC) is investigated by examining gas flows in a submicron channel using molecular dynamics simulations. The results show that the TMAC decreases with the increasing temperature following an exponential decay law, and is more sensitive to lower temperatures than to higher ones. The molecular trapping-desorption behaviors near the channel surface are found to be responsible for this dependence.
The normal impinging of nanoscale water droplets on the solid surface is investigated through molecular dynamics simulations. A wide regime of impinging from spreading to breakup is studied. The overestimations of dissipation and surface free energy in literature are modified with a more accurate assumption on flow fields. The refined model fits well with the simulation results by introducing the linear distribution of radial velocity gradient. Two modes of breakup are observed during the nanodroplet impinging on the surface: (1) touch-bottom of the surface of the liquid film and (2) propagation of finger-like projections on the flow frontier. The touch-bottom breakup is possibly the dominant mode in cases with large We and small Re. The criterion is proposed to be that the amplitude of the capillary wave is larger than the average height of the droplets at the maximum spreading state. This criterion gives a well prediction comparing to the results obtained in molecular dynamics simulations.
The understanding of the flow and heat transfer processes for fluid through micro- and nanochannels becomes imperative due to its wide application in micro- and nano-fluidic devices. In this paper, the method to simulate the convective heat transfer process in molecular dynamics is improved based on a previous study. With this method, we simulate a warm dense fluid flowing through a cold parallel-plate nanochannel with constant wall temperature. The characteristics of the velocity and temperature fields are analysed. The temperature difference between the bulk average temperature of fluid and the wall temperature decreases in an exponential form along the flow direction. The Nusselt number for the laminar flow in parallel-plate nanochannel is smaller than its corresponding value at macroscale. It could be attributed to the temperature jump at the fluid–wall interface, which decreases the temperature gradient near the wall. The results also reveal that the heat transfer coefficient is related to the surface wettabilities, which differs from that in the macroscopic condition.