Porous metal-organic Cu II complex of L-Arginine; synthesis, characterization, hydrogen storage properties and molecular simulation calculations

Abstract

Cu II -arginine coordination compound was synthesized and characterized by using DSC, DTA, EA, FT-IR, XRD, SEM and EDX analysis techniques and then the hydrogen storage properties were investigated. Hydrogen storage performance of synthesized compound was determined both experimental and theoretically by using Materials Studio which is one of the Molecular simulation software and adsorption measurement equipment. It is found out that the arginine compound uptakes approximately 1.2 wt. % experimentally and 0.8 wt. % theoretically hydrogen in 77K and 100 bars pressure. Also the surface characteristics was calculated and also the possible cites which could uptake hydrogen in a single lattice cell were determined. At the end of this research, in addition to drug and other applications of L-arginine, it is proved that could be used as a part of adsorbent for hydrogen storage application.

Keywords

• Hydrogen Storage,Cu-II compound,L-Arginine,Coordination Compound,Molecular Simulation.

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