Ghysels, A.; Moors, S.L.C.; Hemelsoet, K.; De Wispelaere, K.; Waroquier, M.; Sastre Navarro, German Ignacio; Van Speybroeck, V.(American Chemical Society, 2015-10-15)
[EN] The diffusion of olefins through 8-ring solid acid microporous zeolites is investigated using molecular dynamics simulations techniques and using a newly developed flexible force field. Within the context of the ...