Advancing oxygen separation

insights from experimental and computational analysis of La_0.7Ca_0.3Co_0.3Fe_0.6M_0.1O_3−δ (M = Cu, Zn) oxygen transport membranes

verfasst von: Guoxing Chen, Wenmei Liu, Marc Widenmeyer, Xiao Yu, Zhijun Zhao, Songhak Yoon, Ruijuan Yan, Wenjie Xie, Armin Feldhoff, Gert Homm, Emanuel Ionescu, Maria Fyta, Anke Weidenkaff
Abstract: In this study, perovskite-type La_0.7Ca_0.3Co_0.3 Fe_0.6M_0.1O_3−δ (M = Cu, Zn) powders were synthesized using a scalable reverse co-precipitation method, presenting them as novel materials for oxygen transport membranes. The comprehensive study covered various aspects including oxygen permeability, crystal structure, conductivity, morphology, CO₂ tolerance, and long-term regenerative durability with a focus on phase structure and composition. The membrane La_0.7Ca_0.3Co_0.3Fe_0.6Zn_0.1O₃_−δ exhibited high oxygen permeation fluxes, reaching up to 0.88 and 0.64 mL·min⁻¹cm⁻² under air/He and air/CO₂ gradients at 1173 K, respectively. After 1600 h of CO₂ exposure, the perovskite structure remained intact, showcasing superior CO₂ resistance. A combination of first principles simulations and experimental measurements was employed to deepen the understanding of Cu/Zn substitution effects on the structure, oxygen vacancy formation, and transport behavior of the membranes. These findings underscore the potential of this highly CO₂-tolerant membrane for applications in high-temperature oxygen separation. The enhanced insights into the oxygen transport mechanism contribute to the advancement of next-generation membrane materials. (Figure presented.)
Organisationseinheit(en): Institut für Physikalische Chemie und Elektrochemie
Externe Organisation(en): Fraunhofer-Einrichtung für Wertstoffkreisläufe und Ressourcenstrategie (IWKS)
Paul Scherrer Institut (PSI)
Technische Universität Darmstadt
Universität Stuttgart
Rheinisch-Westfälische Technische Hochschule Aachen (RWTH)
Typ: Artikel
Journal: Frontiers of Chemical Science and Engineering
Band: 18
Anzahl der Seiten: 13
ISSN: 2095-0179
Publikationsdatum: 06.2024
Publikationsstatus: Veröffentlicht
Peer-reviewed: Ja
ASJC Scopus Sachgebiete: Allgemeine chemische Verfahrenstechnik
Elektronische Version(en): https://doi.org/10.1007/s11705-024-2421-5 (Zugang: Geschlossen)

BibTeX

@article{0b30694423e44344b172cbc3fc997f7f,
title = "Advancing oxygen separation: insights from experimental and computational analysis of La0.7Ca0.3Co0.3Fe0.6M0.1O3−δ (M = Cu, Zn) oxygen transport membranes",
abstract = "In this study, perovskite-type La0.7Ca0.3Co0.3 Fe0.6M0.1O3−δ (M = Cu, Zn) powders were synthesized using a scalable reverse co-precipitation method, presenting them as novel materials for oxygen transport membranes. The comprehensive study covered various aspects including oxygen permeability, crystal structure, conductivity, morphology, CO2 tolerance, and long-term regenerative durability with a focus on phase structure and composition. The membrane La0.7Ca0.3Co0.3Fe0.6Zn0.1O3−δ exhibited high oxygen permeation fluxes, reaching up to 0.88 and 0.64 mL·min−1cm−2 under air/He and air/CO2 gradients at 1173 K, respectively. After 1600 h of CO2 exposure, the perovskite structure remained intact, showcasing superior CO2 resistance. A combination of first principles simulations and experimental measurements was employed to deepen the understanding of Cu/Zn substitution effects on the structure, oxygen vacancy formation, and transport behavior of the membranes. These findings underscore the potential of this highly CO2-tolerant membrane for applications in high-temperature oxygen separation. The enhanced insights into the oxygen transport mechanism contribute to the advancement of next-generation membrane materials. (Figure presented.)",
keywords = "energy barrier, formation energy, membrane, oxygen ions diffusion, oxygen permeation, oxygen vacancy, perovskite",
author = "Guoxing Chen and Wenmei Liu and Marc Widenmeyer and Xiao Yu and Zhijun Zhao and Songhak Yoon and Ruijuan Yan and Wenjie Xie and Armin Feldhoff and Gert Homm and Emanuel Ionescu and Maria Fyta and Anke Weidenkaff",
note = "Funding Information: G.C., M.W., and A.W. kindly thank the Federal Ministry of Education and Research for financial support during PiCK project (Grant No. 03SFK2S3B). G.C., G.H., and A.W. kindly thank the Hydrogen performance center in Hesse for financial support during the Green materials for Green H2 project. M.W. and A.W. kindly thank the Federal Ministry of Education and Research for financial support during the NexPlas project (Grant No. 03SF0618B). The simulations presented in this work were performed on the computational resource For HLR II funded by the Ministry of Science, Research and the Arts Baden-W\u00FCrttemberg and the Deutsche Forschungsgemeinschaft. W.L. and M.F. are thankful for being granted access to these facilities. ",
year = "2024",
month = jun,
doi = "10.1007/s11705-024-2421-5",
language = "English",
volume = "18",
journal = "Frontiers of Chemical Science and Engineering",
issn = "2095-0179",
publisher = "Higher Education Press",
number = "6",
}

Advancing oxygen separation

insights from experimental and computational analysis of La0.7Ca0.3Co0.3Fe0.6M0.1O3−δ (M = Cu, Zn) oxygen transport membranes

insights from experimental and computational analysis of La_0.7Ca_0.3Co_0.3Fe_0.6M_0.1O_3−δ (M = Cu, Zn) oxygen transport membranes