On the Pore Size Distributions of Carbonaceous Catalysts and Adsorbents
Статья (Full article),
Chemistry for Sustainable Development
Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Lavrentyeva 5, Novosibirsk 630090 (Russia)
Institute of Hydrocarbons Processing, Siberian Branch of the Russian Academy of Sciences, Ul. Neftezavodskaya 54, Omsk 644040 (Russia)
The modeling of a low temperature nitrogen adsorption in graphite mesopores with rectangular sections having the aspect ratio of the side lengths more than 7:1 has been executed by using the grand canonical Monte Carlo (GCMC) method. The adsorption branches of obtained GCMC isotherms were processed with the purpose of calculation of the formal pore size distributions (PSDs) by the nonlocal density functional theory (NLDFT) and Derjaguin-Broekhoff-de Boer (D-BdB) method. It is shown that NLDFT underestimates the sizes of the model rectangular mesopores though gives good estimations of specific surface area and volume of the pores. Also, it is shown that D-BdB method very strongly underestimates specific surface area and overestimates total volume of pores. PSDs obtained from D-BdB method have a very wide distributive interval of apparent sizes and brightly expressed bimodal forms. Such completely wrong information about the size of the investigated model pores is a consequence of the macroscopic assumption of the D-BdB theory about the constancy of the capillary condensate density in pores at various pressures.