Dissociative Adsorption of Hydrogen in Hydrogen-Blended Natural Gas Pipelines: A First Principles and Thermodynamic Analysis
Source abstract
Abstract
This study employs first principles calculations and thermodynamic analyses to investigate the dissociative adsorption of hydrogen on the Fe(110) surface. The results show that the adsorption energies of hydrogen at different sites on the iron surface are −1.98 eV (top site), −2.63 eV (bridge site), and −2.98 eV (hollow site), with the hollow site being the most stable adsorption position. Thermodynamic analysis further reveals that under operational conditions of 25 °C and 12 MPa, the Gibbs free energy change (ΔG) for hydrogen dissociation is −1.53 eV, indicating that the process is spontaneous under pipeline conditions. Moreover, as temperature and pressure increase, the spontaneity of the adsorption process improves, thus enhancing hydrogen transport efficiency in pipelines. These findings provide a theoretical basis for optimizing hydrogen transport technology in natural gas pipelines and offer scientific support for mitigating hydrogen embrittlement, improving pipeline material performance, and developing future hydrogen transportation strategies and safety measures.
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Research context
OpenAlex topics: Hybrid Renewable Energy Systems · Spacecraft and Cryogenic Technologies · Hydrogen Storage and Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Safety Science and Engineering, Xi’an University of Science and Technology, 58, Yanta Mid. Rd., Xi’an 710054, China
Shaanxi Key Laboratory of Prevention and Control of Coal Fire, 58, Yanta Mid. Rd., Xi’an 710054, China
Shaanxi Engineering Research Centre for Industrial Process Safety and Emergency Rescue, 58, Yanta Mid. Rd., Xi’an 710054, China
Funding
National Natural Science Foundation of China · Science and Technology Plan of Yulin City, Shaanxi Province
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