Dissociative Adsorption of Hydrogen in Hydrogen-Blended Natural Gas Pipelines: A First Principles and Thermodynamic Analysis

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),...

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Bibliographic Details
Published in:	Applied Sciences
Main Authors:	Wei He, Zhenmin Luo, Pengyu Zhang, Ruikang Li, Xi Yang
Format:	Article
Language:	English
Published:	MDPI AG 2025-06-01
Subjects:	hydrogen-blended natural gas pipelines dissociative adsorption spontaneous dissociation charge density Gibbs free energy
Online Access:	https://www.mdpi.com/2076-3417/15/13/7342

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