Diffusion of the two isomers of butane in silicalite was simulated by molecular dynamics at 300K and low loading. It appeared that n-butane diffused much more rapidly due to its elongated trans conformation and that vibrations of the silicalite lattice significantly contributed to an increase the diffusion coefficient.

Molecular Dynamics Simulation of the Diffusion of N-Butane and I-Butane in Silicalite. Bouyermaouen, A., Bellemans, A.: Journal of Chemical Physics, 1998, 108[5], 2170-2