Study of the hydrogen physisorption on adsorbents based on activated carbon by means of statistical physics formalism: modeling analysis and thermodynamics investigation

An advanced statistical physics model has been applied to study the hydrogen adsorption isotherm on two modified types of activated carbon, namely granular coal activated carbon (AC (GC)) and coconut shell activated carbon (AC (CS)). This model is established with the statistical physics approach. It is a more general model including various parameters having a defined physico-chemical sense which were discussed at different temperatures. Hence new physic-chemical interpretations of the adsorption process of hydrogen are provided. The analysis of the hydrogen uptake capacities at saturation showed that the AC (GC) adsorbent displayed a high adsorption capacity (3.21 mg/g). This due to the contribution of the number of hydrogen molecules per site (1.27) associated with the receptor sites density (0.74 mg/g) and the number of formed layers (3.42). The modeling results suggested that the hydrogen adsorption occurred by non-parallel positions on the two tested adsorbents thus evincing that the adsorption cannot be other than a multi-molecular process. The calculated adsorption energies globally varied from 7.01 to 12.92 kJ/mol, confirming the physical nature of the adsorption process for both studied systems. The thermodynamic functions, namely internal energy, enthalpy and entropy were estimated to better analyze the hydrogen sorption process. In summary, the statistical physics analysis provided reliable concrete physico-chemical interpretations of hydrogen adsorption process on carbon-based adsorbents with various microstructures to develop a storage compounds with a suitable framework for a hydrogen storage structure.