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http://dx.doi.org/10.5855/ENERGY.2014.23.2.007

Analysis of Adsorption Phenomena of Hydrogen on Carbon Nanotube usint Molecular Simulation  

Chun, Dong Hyuk (Korea Institute of Energy Research)
Moon, Jong-Ho (Korea Institute of Energy Research)
Kim, Hyun Uk (Korea Institute of Energy Research)
Park, Young Cheol (Korea Institute of Energy Research)
Lee, Tai-Yong (Hong-Ik University)
Publication Information
Journal of Energy Engineering / v.23, no.2, 2014 , pp. 7-12 More about this Journal
Abstract
Molecular simulation was performed to evaluate the possibility of hydrogen storage of carbon nanotubes. The equilibrium state of hydrogen adsorbed on carbon nanotubes was simulated by grand canonical Monte Carlo method at constant temperature and pressure. The interaction energy between hydrogen molecule and carbon nanotube was calculated by Lennard-Jones potential model. According to the interaction energy calculated, more hydrogen molecules were adsorbed on the inside than the outside of nanotubes. Whereas the adsorption strength was higher outside than inside. Adsorption capacity was investigated for various temperature and pressure. The maximum capacity of carbon nanotube for hydrogen storage was 2.5wt% at 200 K and 200 bar.
Keywords
Carbon nanotube; Hydrogen storage; Adsorption; Molecular simulation;
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