抄録
Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterize the response to weak electric and pressure fields are obtained in the linear regime using a Green-Kubo approach. Nonequilibrium simulations with explicit external fields are also carried out, and the current and mass flows are directly obtained. The two methods exhibit good agreement even for large external field strengths, and Onsager's reciprocal relation is numerically confirmed in both approaches. In the presentation, the influence of the surface charge density on the flow will be also considered, and a reversal of the streaming current and of the reciprocal electro-osmotic flow observed for very high surface charge density will be discussed.
