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Information × Registration Number 0211U000160, 0109U005909 , R & D reports Title Computer modeling of nanoporous carbon and of its interaction with hydrogen and biomolecules. popup.stage_title Head Kryklia Olexandr Olexandrovych, Registration Date 21-01-2011 Organization Frantzevich Insitute for Materials Science Problems of the Ukranian National Academy of Sciences popup.description2 The technique of creating models of the structure of carbide-derived nanoporous carbon with parameters corresponding to the experimental data and calculation of structure parameters is proposed. Calculated the following parameters: density, porosity, specific surface area of pores, pore volume, pore size distribution, geometric shape and arrangement of pores, the fractal dimension of the porous space, porosity and specific surface area dependance on temperature, hydrogen storage capacity. The calculated hydrogen capacity corresponds to the experimental data. Designed computer programs and models can be used for optimization, prediction and calculation of the atomic structure of nanoporous carbon, allow us to calculate the hydrogen capacity of nanoporous carbon and can be extended to calculate other nanoporous adsorbent-adsorbate systems. Product Description popup.authors popup.nrat_date 2020-04-02 Close