The ubiquitous aquaporin channels are able to conduct water across cell membranes, combining the seemingly antagonist functions of a very high selectivity with a remarkable permeability. Whereas molecular details are obvious keys to perform these tasks, the overall efficiency of transport in such nanopores is also strongly limited by viscous dissipation arising at the connection between the nanoconstriction and the nearby bulk reservoirs. In this contribution, we focus on these so-called entrance effects and specifically examine whether the characteristic hourglass shape of aquaporins may arise from a geometrical optimum for such hydrodynamic dissipation. Using a combination of finite-element calculations and analytical modeling, we show that conical entrances with suitable opening angle can indeed provide a large increase of the overall channel permeability. Moreover, the optimal opening angles that maximize the permeability are found to compare well with the angles measured in a large variety of aquaporins. This suggests that the hourglass shape of aquaporins could be the result of a natural selection process toward optimal hydrodynamic transport. Finally, in a biomimetic perspective, these results provide guidelines to design artificial nanopores with optimal performances. nanofluidics | hydrodynamic permeability | biochannels
Nanopores, either biological, solid-state, or ultrathin pierced graphene, are powerful tools which are central to many applications, from sensing of biological molecules to desalination and fabrication of ion selective membranes. However, the interpretation of transport through low aspect-ratio nanopores becomes particularly complex as 3D access effects outside the pores are expected to play a dominant role. Here, we report both experiments and theory showing that, in contrast to naïve expectations, long-range mutual interaction across an array of nanopores leads to a non-extensive, sub-linear scaling of the global conductance on the number of pores N. A scaling analysis demonstrates that the N-dependence of the conductance depends on the topology of the network. It scales like G ∼ N/log N for a 1D line of pores, and like G ∼ √ N for a 2D array, in agreement with experimental measurements. Our results can be extended to alternative transport phenomena obeying Laplace equations, such as diffusive, thermal, or hydrodynamic transport. Consequences of this counter-intuitive behavior are discussed in the context of transport across thin membranes, with applications in energy harvesting.
The large-scale processing of nanomaterials such as graphene and MoS 2 relies on understanding the flow behaviour of nanometrically-thin platelets suspended in liquids. Here we show, by combining non-equilibrium molecular dynamics and continuum simulations, that rigid nanoplatelets can attain a stable orientation for sufficiently strong flows. Such a stable orientation is in contradiction with the rotational motion predicted by classical colloidal hydrodynamics. This surprising effect is due to hydrodynamic slip at the liquid-solid interface and occurs when the slip length is larger than the platelet thickness; a slip length of a few nanometers may be sufficient to observe alignment. The predictions we developed by examining pure and surface-modified graphene is applicable to different solvent/2D material combinations. The emergence of a fixed orientation in a direction nearly parallel to the flow implies a slip-dependent change in several macroscopic transport properties, with potential impact on applications ranging from functional inks to nanocomposites.
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