Hydrogen adsorption calculations in expanded graphite and amorphous carbons

Abstract

This paper uses an efficient and accurate approach to estimate the hydrogen physisorption in various carbon structures. Compared with previous Grand Canonical Monte Carlo (GCMC) and other methods applied to expanded graphite, the method introduced here is shown to be accurate, but the calculation is much faster and more intuitive. Our preliminary results in amorphous carbons show high hydrogen uptake close to 0.8 wt-% at 300 K and moderate pressure.