Abstract
This paper uses an efficient and accurate approach to estimate the hydrogen physical adsorption in various carbon structures. By comparing with previous Grand Canonical Monte Carlo (GCMC) and other methods on expanded graphite, the introduced method 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% at 300 K and moderate pressure.
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Lu, J.P., James, R.M. Hydrogen adsorption calculations in expanded graphite and amorphous carbons. MRS Online Proceedings Library 1216, 108 (2009). https://doi.org/10.1557/PROC-1216-W01-08
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DOI: https://doi.org/10.1557/PROC-1216-W01-08