Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene
The chemical looping steam reforming (CLSR) of biomass tar enables the process intensification for the co-preparation of syngas and high purity hydrogen. The practical application of brownmillerite-structured Ca2Fe2O5 is hindered by activity-related issues such as low fuel conversion and oxygen tran...
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sg-ntu-dr.10356-1643962023-12-29T06:49:56Z Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene Xu, Tingting Wang, Xun Zhao, Haibo Xiao, Bo Liu, Dong Liu, Wen School of Chemical and Biomedical Engineering Cambridge Centre for Advanced Research and Education Engineering::Chemical engineering Brownmillerite Lattice Oxygen Activity The chemical looping steam reforming (CLSR) of biomass tar enables the process intensification for the co-preparation of syngas and high purity hydrogen. The practical application of brownmillerite-structured Ca2Fe2O5 is hindered by activity-related issues such as low fuel conversion and oxygen transfer capacity. Here, the doping of heteroatoms, e.g. Ni induces structural changes to the brownmillerite lattice, transforming it from a Pnma phase to a Pcmn one, with increased distortion of the FeO6 octahedra. The structural changes lead to the upwards shifts of the O 2p band of oxygen carrier, and subsequently improved lattice oxygen activity as well as oxygen transfer capacity. The formation of oxygen vacancy is a rate determining step during CLSR, while the Ni-doped Ca2Fe2O5 reduces the energy of oxygen vacancy formation and energy barrier for lattice oxygen migration through the bulk. During CLSR, Ca2Ni0.25Fe1.75O5 lead to significant improvement in syngas productivity, hydrogen purity and fuel conversion. Nanyang Technological University National Research Foundation (NRF) Submitted/Accepted version The research received financial support by National Natural Science Foundation of China (No. 22109048 and No. 22005112), China Postdoctoral Science Foundation (No. 2021M691121 and No. 2022T150229), and the Fundamental Research Funds for the Central Universities (No. 2021XXJS040). TX and WL acknowledge financial support by National Research Foundation under its Campus for Research Excellence and Technological Enterprise (CREATE) programme. WL also thanks Nanyang Technological University for its Start-up Grant. 2023-01-20T03:29:37Z 2023-01-20T03:29:37Z 2023 Journal Article Xu, T., Wang, X., Zhao, H., Xiao, B., Liu, D. & Liu, W. (2023). Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene. Applied Catalysis B: Environmental, 320, 122010-. https://dx.doi.org/10.1016/j.apcatb.2022.122010 0926-3373 https://hdl.handle.net/10356/164396 10.1016/j.apcatb.2022.122010 2-s2.0-85138830433 320 122010 en Applied Catalysis B: Environmental © 2022 Elsevier B.V. All rights reserved. This paper was published in Applied Catalysis B: Environmental and is made available with permission of Elsevier B.V. application/pdf |
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Engineering::Chemical engineering Brownmillerite Lattice Oxygen Activity Xu, Tingting Wang, Xun Zhao, Haibo Xiao, Bo Liu, Dong Liu, Wen Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| description |
The chemical looping steam reforming (CLSR) of biomass tar enables the process intensification for the co-preparation of syngas and high purity hydrogen. The practical application of brownmillerite-structured Ca2Fe2O5 is hindered by activity-related issues such as low fuel conversion and oxygen transfer capacity. Here, the doping of heteroatoms, e.g. Ni induces structural changes to the brownmillerite lattice, transforming it from a Pnma phase to a Pcmn one, with increased distortion of the FeO6 octahedra. The structural changes lead to the upwards shifts of the O 2p band of oxygen carrier, and subsequently improved lattice oxygen activity as well as oxygen transfer capacity. The formation of oxygen vacancy is a rate determining step during CLSR, while the Ni-doped Ca2Fe2O5 reduces the energy of oxygen vacancy formation and energy barrier for lattice oxygen migration through the bulk. During CLSR, Ca2Ni0.25Fe1.75O5 lead to significant improvement in syngas productivity, hydrogen purity and fuel conversion. |
| author2 |
School of Chemical and Biomedical Engineering |
| author_facet |
School of Chemical and Biomedical Engineering Xu, Tingting Wang, Xun Zhao, Haibo Xiao, Bo Liu, Dong Liu, Wen |
| format |
Article |
| author |
Xu, Tingting Wang, Xun Zhao, Haibo Xiao, Bo Liu, Dong Liu, Wen |
| author_sort |
Xu, Tingting |
| title |
Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| title_short |
Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| title_full |
Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| title_fullStr |
Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| title_full_unstemmed |
Modulating lattice oxygen activity of Ca₂Fe₂O₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| title_sort |
modulating lattice oxygen activity of ca₂fe₂o₅ brownmillerite for the co-production of syngas and high purity hydrogen via chemical looping steam reforming of toluene |
| publishDate |
2023 |
| url |
https://hdl.handle.net/10356/164396 |
| _version_ |
1787136648950054912 |