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Journal article
Assessment of the factors limiting the accuracy of kinetic modeling for determining the Hydrogen flux across a palladium membrane
Computational materials science, v 258, 114051
Aug 2025
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Abstract
This work explores how the hydrogen flux across dense solid membranes, determined via kinetic modeling, depends on the accuracy of input parameters. Hydrogen flux across a palladium membrane was calculated over the 95% confidence interval of a set of transport barriers from literature and compared to published experimental results, thus determining bounds on the accuracy of the predicted flux. The mean values for the transport barriers resulted in a calculated flux that fit the experimental data well for temperatures above 623K, and the experimental flux fell within the range of calculated flux for all temperatures measured. Predictions from the kinetic modeling were found to become more sensitive to differences in transport barrier as pressure drop across the membrane increases, demonstrating the importance of careful measurement of hydrogen pressure.
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Details
- Title
- Assessment of the factors limiting the accuracy of kinetic modeling for determining the Hydrogen flux across a palladium membrane
- Creators
- Benjamin Heron Rosen (Corresponding Author) - Drexel University, ChemistryKarl Sohlberg - Drexel University, Chemistry
- Publication Details
- Computational materials science, v 258, 114051
- Publisher
- Elsevier
- Number of pages
- 9
- Grant note
- ACS-PRF: 58323-ND10
This work was supported in part by ACS-PRF #58323-ND10. The Authors would like to thank the generous Donors of the American Chemical Society Petroleum Research Fund for their support.
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:001530637200001
- Scopus ID
- 2-s2.0-105009373009
- Other Identifier
- 991022058831904721
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- Web of Science research areas
- Materials Science, Multidisciplinary