Water sorption characteristics of carbon nanostructures calculated on the basis of the Ornstein–Zernike equation |
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Authors: | Yu V Agrafonov I G Prosekina M Yu Prosekin I S Petrushin and A A Sorokin |
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Institution: | 1.Irkutsk State University,Irkutsk,Russia;2.Tomsk State University,Tomsk,Russia |
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Abstract: | Molecular systems in contact with the bounding surfaces are examined. New apparatus describing adequately quasi–two-dimensional
structures whose cross sectional dimensions are comparable with the correlation length is suggested. It is based on the modified
method of the Wigner distribution functions and the system of Ornstein–Zernike equations generalized for one- and two-particle
distribution functions. Modeling of the physical gas sorption process in carbon nanofibers and nanotubes allows local microstructure,
sorption characteristics, effective sizes, and optimal technological filling parameters to be calculated. |
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