Full Content is available to subscribers

Subscribe/Learn More  >

The Adsorption Study of Hydrogen on Iron and Vanadium

[+] Author Affiliations
Min He, Zaoxiao Zhang, Guangxu Cheng

Xi'an Jiaotong University, Shaanxi, China

Paper No. PVP2017-65582, pp. V01BT01A031; 5 pages
  • ASME 2017 Pressure Vessels and Piping Conference
  • Volume 1B: Codes and Standards
  • Waikoloa, Hawaii, USA, July 16–20, 2017
  • Conference Sponsors: Pressure Vessels and Piping Division
  • ISBN: 978-0-7918-5791-5
  • Copyright © 2017 by ASME


Hydrogenation reactor, a typical equipment in petrochemical industry, usually works in tough condition, such as high temperature, high pressure, with hydrogen gas as medium. 2.25Cr-1Mo is widely used as reactor material. However, with the increase of operating condition, a better material is needed. At present, 2.25Cr-1Mo-0.25V is proved having a better mechanical property in high temperature than that of 2.25Cr-1Mo. Hence, it is very important to study the hydrogen impact on 2.25Cr1Mo0.25V. This paper aims to study the relationship between H atom and metal crystal from microscopic view. Based on the first-principles calculation, the convergence analysis of parameters, the adsorption of H atom on Fe, V and their surfaces have been discussed. The results show that the parameter values of simple crystal surface (110) are less than surface (100), such as energy cutoff, k-point sampling, especially the number of slab layers. Tetrahedral-site is the stable site when H atom exists in bbc Fe, V lattice. And quasi three-ford site is the stable status when atomic H absorption on Fe(110) and V(110).

Copyright © 2017 by ASME
Topics: Hydrogen , Iron



Interactive Graphics


Country-Specific Mortality and Growth Failure in Infancy and Yound Children and Association With Material Stature

Use interactive graphics and maps to view and sort country-specific infant and early dhildhood mortality and growth failure data and their association with maternal

Citing articles are presented as examples only. In non-demo SCM6 implementation, integration with CrossRef’s "Cited By" API will populate this tab (http://www.crossref.org/citedby.html).

Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In