Tensile loading characteristics of hydrogen stored carbon nanotubes in PEM fuel cell operating conditions using molecular dynamics simulation

V Vijayaraghavan and JFN Dethan and A Garg, MOLECULAR SIMULATION, 44, 736-742 (2018).

DOI: 10.1080/08927022.2018.1445246

Mechanical characteristics of hydrogen stored single walled carbon nanotube (SWCNT) in proton exchange membrane fuel cell (PEMFC) operating conditions are analysed in this work using molecular dynamics simulation method. The investigation of mechanical characteristics of hydrogen stored SWCNT is critical in determining the lifetime and stability of SWCNT-based membranes used in PEMFC. The study provides a comprehensive analysis on the effects of geometry, vacancy defects and PEMFC operating temperature on the mechanical properties of hydrogen stored SWCNT. The findings show that the mechanical strength of the hydrogen stored SWCNT can be enhanced by deploying a bigger armchair SWCNT. Furthermore, increase in operating temperature of PEMFC reduces the mechanical resistance of hydrogen stored SWCNT, which however can be overcome by suitably introducing vacancy defects in the SWCNT geometry. This has provided potential way of increasing the hydrogen storage capacity of SWCNT which is very useful for onboard application of PEMFC. It is anticipated that the findings obtained from this paper will have a paramount importance in the field of hydrogen energy fuel cell technology and further compliment the potential applications of SWCNTs as promising candidates for applications in fuel cells and energy storage devices.

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