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In this work, we have studied the effect of surface roughness on thermodiffusion in simple “isotopic” mixtures confined in a slit nanopore. To do so, we have performed non-equilibrium molecular dynamics simulations of Lennard–Jones binary equimolar mixtures confined in structureless (in which the interaction with the fluid is described by a Lennard–Jones 9–3 potential) and atomistic walls for various...
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