Comparison of doped combination zirconium-tungsten, zirconium- molybdenum and molybdenum-tungsten on single-wall vanadium oxide nanotube in hydrogen gas adsorption

Journal Title: International Journal of new Chemistry - Year 2017, Vol 4, Issue 3

Abstract

In this study, doped vanadium oxide nanotubes were evaluated using different software to study the absorption of hydrogen gas. Vanadium oxide nanotubes are one of the options for absorption and storage hydrogen gas. In this research study for the first time, the Monte Carlo simulation was used to investigate the hydrogen gas absorption behavior in molybdenum-tungsten, molybdenum-zirconium and zirconium-tungsten doped vanadium oxide nanotub. At 300 K and at different pressures, the amount of hydrogen gas absorption inside and outside the doped nanotubes has been investigated. The results show the maximum adsorption capacity in 50MPa. Also, by comparing the obtained data and absorption isotherms, was determined absorption of hydrogen gas in vanadium oxide nanotube doped with zirconium molybdenum was better than the other two nanotubes.

Authors and Affiliations

Azita Salimian; Speideh Ketabi; Jamshid Najafpour

Keywords

Related Articles

Computational Investigation of the Effect of Changes in Halogenated on Factors in Nano-Carriers of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride and C60

In this study, the drug combination of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride or Procychelidine was applied on fullerene and its dual halogen derivatives were optimized in the position of carbo...

A DFT study of the nuclear magnetic properties of fullerenes

The stable configurations, electronic structure and magnetic properties of B16N16, B8C24, Al and P inserted (BC3)8 was studied by performing density functional theory (DFT) calculations of the NMR parameters. The results...

The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory

The objective of this research was the economic analysis of two different methods for the clarification of sugarcane juice. The first method was the method of using 700 ppm of CaO (final pH=7.9) and 1 ppm of Separan floc...

Theoretical study of the properties of adenine amino acid tetomers with C60

In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry l...

PREPARATION AND CHARACTERIZATION OF TiO2 Fe2O3 NANOCOMPOSITE BY SOL GEL METHOD

Nanocomposites have improved aspect ratio and better mechanical properties when compared to the composites which had structures less than 100nm They are 1000 times tougher compared to conventional composites. Besides mec...

Download PDF file
  • EP ID EP46187
  • DOI -
  • Views 230
  • Downloads 0

How To Cite

Azita Salimian; Speideh Ketabi; Jamshid Najafpour (2017). Comparison of doped combination zirconium-tungsten, zirconium- molybdenum and molybdenum-tungsten on single-wall vanadium oxide nanotube in hydrogen gas adsorption. International Journal of new Chemistry, 4(3), -. https://europub.co.uk./articles/-A-46187