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We simulated the low temperature (T = 77 K) hydrogen adsorption in carbon slit-shaped nanopores using consecutively united atom (UA) and all atom (AA) representation of hydrogen molecule. We showed that both approximations give comparable estimation of the amount stored, for the wide range of pore width (0.6–2.5 nm). We also showed that at very high pressure (P = 400 bar, corresponding to the fugacity...
The mechanisms of methane adsorption in (i) homogeneous carbon slit pores of widths between 1nm and 2nm and (ii) heterogeneous MOF pores of similar unit cell sizes have been compared. We discuss the mechanism of layering transition in subcritical conditions, for temperatures between 80K and 180K. The layer formation is strongly temperature-dependent. In slit pores it varies from a sharp adsorption...
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