Molecular Dynamics (MD) simulations have been carried out to determine the Maxwell-Stefan (M-S) diffusivities D-i for linear alkanes with 5, 6, 7 and 8 carbon atoms in MFI zeolite at 433 K for a range of molecular loadings &UTheta;. The dependence of the MS diffusivities Di on the loading 0 was found to exhibit strong inflection behaviour; this is caused by the inflection in the corresponding sorption isotherm. The D-i - &UTheta; dependence follows the trend suggested by Krishna et al. [R. Krishna, J.M. van Baten, D. Dubbeldam, J. Phys. Chem. B 108 (2004) 14820]. The inflection behaviour also extends to diffusivities in binary mixtures. © 2005 Elsevier B.V. All rights reserved.