| About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
Advances in Materials and Systems for a Hydrogen Economy
|
| Presentation Title |
Adsorption and Dissociation of Hydrogen on Iron and Iron Oxide Surfaces Under Supercritical Conditions |
| Author(s) |
Hao Zhang, Meifeng Li, Jing Liu |
| On-Site Speaker (Planned) |
Hao Zhang |
| Abstract Scope |
Studies show that the hydrogen uptake into pipeline and casing steels in high-pressure hydrogen environments may be very different from the cathodic hydrogen produced in aqueous solutions. In the current study, the thermodynamics of H2 at a wide combination of temperatures (300 - 900 K) and pressures (0.1 - 100 MPa) has first been established based on a lattice-molecule model for predicting the adsorption and dissociation of gaseous and supercritical H2 (s-H2) on the Fe-based steel surface. The configurations of H2 adsorption and dissociation on Fe (100) and Fe2O3 (001) surfaces were investigated through the density functional theory calculation. Compared to the gaseous H2, s-H2 was likely to be more active on the iron and its oxide surface in terms of dissociating into H atoms. The results also confirmed that the presence of the Fe2O3 scale could protect pipeline steels from environmental hydrogen permeation under the investigated high-pressure conditions. |