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Hydrogen adsorption calculations in expanded graphite and amorphous carbons

Published online by Cambridge University Press:  31 January 2011

Lujian Peng  and
James Robert Morris
Lujian Peng
Affiliation:
[email protected], University of Tennessee, Department of Material Science and Engineering, Knoxville, Tennessee, United States
James Robert Morris
Affiliation:
[email protected], Oak Ridge National Laboratory, Materials Sciences and Technology Division, Oak Ridge, Tennessee, United States
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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.

Keywords

absorptionamorphousC
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1216: Symposium W – Hydrogen Storage Materials , 2009 , 1216-W01-08
Copyright
Copyright © Materials Research Society 2010

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