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The temperature dependence of the dynamics of water inside microporous activated carbon fibers (ACF) is investigated by means of incoherent elastic and quasi- elastic neutron scattering techniques. The aim is to evaluate the effect of increasing pore size on the water dynamics in these primarily hydrophobic slit-shaped channels. Using two different micropore sizes (sim 12 and 18 {AA}, denoted respectively ACF-10 and ACF-20), a clear suppression of the mobility of the water molecules is observed as the pore gap or temperature decreases. This suppression is accompanied by a systematic dependence of the average translational diffusion coefficient Dr and relaxation time <{tau}_0> of the restricted water on pore size and temperature. The observed Dr values are tested against a proposed scaling law, in which the translational diffusion coefficient Dr of water within a nanoporous matrix was found to depend solely on two single parameters, a temperature independent translational diffusion coefficient Dc associated with the water bound to the pore walls and the ratio {theta} of this strictly confined water to the total water inside the pore, yielding unique characteristic parameters for water transport in these carbon channels across the investigated temperature range.
We have explored a model for adsorption of water into slit-like nanochannels with two walls chemically modified by grafted polymer layers forming brushes. A version of density functional method is used as theoretical tools. The water-like fluid model
Molecular dynamics simulations are carried out to investigate mechanical properties and porous structure of binary glasses subjected to steady shear. The model vitreous systems were prepared via thermal quench at constant volume to a temperature well
In order to characterize the geometrical mesh size $xi$, we simulate a solution of coarse-grained polymers with densities ranging from the dilute to the concentrated regime and for different chain lengths. Conventional ways to estimate $xi$ rely eith
When water molecules are confined to nanoscale spacings, such as in the nanometer size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures ($sim$ 150 K), leading to a metastable liquid state with
We study pore nucleation in a model membrane system, a freestanding polymer film. Nucleated pores smaller than a critical size close, while pores larger than the critical size grow. Holes of varying size were purposefully prepared in liquid polymer f