Abstract

Ali Ershadi*

DOI : http://dx.doi.org/10.13005/ojc/310270

The hydrogen damage in the double walled carbon nanotubes (DWCNTs) was studied through molecular simulation.The simulation performed in the measuring domain has the dimensions of about 20×20×13 A. Our calculations revealed that the partial pressure of the hydrogen gas between the two walls is 180 atm and this pressure is equal to hydrogen density of 7.6 mol/L.This simulation procedure showed that the partial amount of the hydrogen molecules gas at first dissociated and then penetrate to the external wall of DWCNT.This approach is similar to hydrogen embrittlement on metals surface.  

Simulation; Studies; Damaging Effect; Molecular Hydrogen

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