Zeolite diffusion, simulations water

L. Leherte, J.-M. Andre, E. G. Derouane, and D. P. Vercauteren, /. Chem. Soc., Faraday Trans., 87,1959 (1991). Self-Diffusion of Water into a Ferrierite-Type Zeolite by Molecular Dynamics Simulations. 

Wei and Srivastava [8] reported diffusion of polymers to be several orders of magnitude faster than through the zeolite chaimels (of comparable size) and also report the translocation time through the nanotube scales as N, where N is the number of monomers in a polymer. Gao et al. [9] calculated that a single-stranded DNA will spontaneously insert into the nanotubes from water solutions provided that the nanotube is big enough, attributing the mechanism to van der Waals attraction. Ye H and Hummer studied electrophoretic transport of nucleic acids through 1.5-nm carbon nanotubes. Their simulation showed that without electric field, RNA would remain trapped in the hydrophobic pores. Sorin and Pande [10] recently also demonstrated that confinement inside a nanotube denatures protein helices. 

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