Predicting hydrogen storage at 298 K in activated carbons

• Published in: Adsorption : journal of the International Adsorption Society 2024-06, Vol.30 (5), p.403-413
• Main Authors: Oliveira, José C. A., Gonçalves, Daniel V., Montenegro, Danielle L., Lucena, Sebastião M. P.
• Format: Article
• Language: English
• Subjects: Activated carbon; Adsorption; Algorithms; Chemistry; Chemistry and Materials Science; Energy costs; Engineering Thermodynamics; Heat and Mass Transfer; High pressure; Hydrogen storage; Industrial Chemistry/Chemical Engineering; Special Issue: EBA14 - 14th Brazilian Meeting on Adsorption; Storage tanks; Surfaces and Interfaces; Thin Films
• ISSN: 0929-5607; 1572-8757
• DOI: 10.1007/s10450-023-00423-w

Vehicular hydrogen has been stored in special tanks at very high pressures (700 bar) with obvious disadvantages in the energy cost of compression and safety. The use of adsorbed H 2 instead of compressed H 2 can be a solution to enable safer and more economical storage. Conducting experimental studies of H 2 adsorption at high pressures may present operational difficulties and risks. In this study we propose the prediction of H 2 adsorption up to 700 bar using the Monte Carlo algorithm in the grand canonical ensemble and the representative pores method. The prediction was carried out in eight commercial activated carbons, the results showed a good agreement between the experimental and simulated data. It was possible to determine the maximum pressure where the highest adsorption of H 2 occurs at 298 K with emphasis on Maxsorb that reached 6.14 wt % at 700 bar, near the US Department of Energy (DOE) target value of 6.5 wt%.