Novel experimental methods for assessment of hydrogen storage capacity and modelling of sorption in Cu-BTC

Novel experimental procedures for hydrogen adsorption studies are presented. The methods provide an important advantage: pure material sorption behaviour can be directly determined without the use of equations of state (EOS) at low temperatures. The storage properties of Cu-BTC [Cu3(BTC)2, BTC – 1,3,5-benzenetricarboxylate] were investigated under different thermodynamic conditions. The maximum hydrogen uptake of 4.6 wt% was observed at 25 K. We compared the results obtained in this work with previously reported experimental data to prove the validity of the novel methods for the hydrogen sorption measurements. The experimental data of the present work show a good agreement with the results reported in the literature. Additionally, the modelling of the hydrogen sorption processes in Cu-BTC was carried out. The simulations were performed in the form of isotherms and isobars. Fairly good agreement with experimental data has been achieved. Uncertainties in MOF-H2 interactions are most likely the major reasons for the remaining difference between simulations and experiments.