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We study molecular diffusion in linear nanopores with different types ofroughness in the so-called Knudsen regime. Knudsen diffusion represents thelimiting case of molecular diffusion in pores, where mutual encounters of themolecules within the free pore space may be neglected and the time of flightbetween subsequent collisions with the pore walls significantly exceeds theinteraction time between the pore wall and the molecules. We present anextension of a commonly used procedure to calculate transport diffusioncoefficients. Our results show that using this extension, the coefficients ofself- and transport diffusion in the Knudsen regime are equal for all regardedsystems, which improves previous literature data.

Pore opening effects and transport diffusion in the Knudsen regime in comparison to self- (or tracer-) diffusion