Evaluation of the adsorption capacity of carbon nanofibers with the use of distribution functions

Abstract

The sorption properties of carbon nanosystems are investigated using appropriate distribution functions. The adsorption capacities of carbon nanofibers for hydrogen are calculated in the singlet approximation under the assumption that adsorbent molecules elastically interact with walls. The optimum interplanar distances determined for carbon nanofibers are as follows: 0.39 ± 0.07 nm for the reduced density n 0 = 0.15 and 0.46 ± 0.04 nm for the reduced density n 0 = 0.3 .

Water sorption characteristics of carbon nanostructures calculated on the basis of the Ornstein–Zernike equation

“…As a result, the second equation is reduced to the OZ relation for the volume liquid. In this case, the direct correlation functions depending parametrically on the average density can be calculated with allowance for the surface geometry [9,11].…”

“…This system was described statistically in [12]. For H ≈ σ, the condition of thermodynamic limit is not satisfied, and another calculation procedure must be used [13]. In this case, the effect of the surface can be calculated using the limiting transition to the volume liquid or two-dimensional film on the surface.…”

“…2a and b). With further increase in d, the excess over the average density tends to zero for the total volume and for the volume accessible to the gas [13][14][15].…”