Numerical simulation of kinetic demixing and decomposition in a LaCoO3-δ oxygen membrane under an oxygen potential gradient

Na Ta; Ming Chen; Lijun  Zhang; Christodoulos Chatzichristodoulou; Weimin  Chen; Peter Vang Hendriksen; Yong Du

doi:10.1016/j.memsci.2017.11.033

Numerical simulation of kinetic demixing and decomposition in a LaCoO_3-δ oxygen membrane under an oxygen potential gradient

Na Ta, Ming Chen^*, Lijun Zhang, Christodoulos Chatzichristodoulou, Weimin Chen, Peter Vang Hendriksen, Yong Du

^*Corresponding author for this work

Department of Energy Conversion and Storage

Central South University

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Abstract

A composition- and temperature-dependent mobility database of all ionic species in the LaCoO_3-δ phase was developed and combined with a La-Co-O thermodynamic database to simulate kinetic demixing and partial decomposition in LaCoO_3-δ oxygen membranes operated under a 0.0001/0.21 bar oxygen partial pressure difference at 1073 K for 1 year. Formation of La₂O₃, Co₃O₄ and CoO phases across the membrane is predicted. The kinetic demixing process can be divided into two stages, namely, establishment of the oxygen potential gradient (fast) and demixing of the cations (slow); the former is controlled by the mobility of oxygen ions, and the latter is determined by the higher mobility of Co ions as compared to the La ion in the ABO₃-type perovskite. A drift motion of both oxide surfaces towards the high PO₂ side occurs with the movement of cations.

Original language	English
Journal	Journal of Membrane Science
Volume	548
Pages (from-to)	526-539
ISSN	0376-7388
DOIs	https://doi.org/10.1016/j.memsci.2017.11.033
Publication status	Published - 2018

Keywords

LaCoO3-δ
Kinetic demixing/decomposition
Oxygen potential gradient
Oxygen membrane

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title = "Numerical simulation of kinetic demixing and decomposition in a LaCoO3-δ oxygen membrane under an oxygen potential gradient",

abstract = "A composition- and temperature-dependent mobility database of all ionic species in the LaCoO3-δ phase was developed and combined with a La-Co-O thermodynamic database to simulate kinetic demixing and partial decomposition in LaCoO3-δ oxygen membranes operated under a 0.0001/0.21 bar oxygen partial pressure difference at 1073 K for 1 year. Formation of La2O3, Co3O4 and CoO phases across the membrane is predicted. The kinetic demixing process can be divided into two stages, namely, establishment of the oxygen potential gradient (fast) and demixing of the cations (slow); the former is controlled by the mobility of oxygen ions, and the latter is determined by the higher mobility of Co ions as compared to the La ion in the ABO3-type perovskite. A drift motion of both oxide surfaces towards the high PO2 side occurs with the movement of cations.",

keywords = "LaCoO3-δ, Kinetic demixing/decomposition, Oxygen potential gradient, Oxygen membrane",

author = "Na Ta and Ming Chen and Lijun Zhang and Christodoulos Chatzichristodoulou and Weimin Chen and Hendriksen, {Peter Vang} and Yong Du",

year = "2018",

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TY - JOUR

T1 - Numerical simulation of kinetic demixing and decomposition in a LaCoO3-δ oxygen membrane under an oxygen potential gradient

AU - Ta, Na

AU - Chen, Ming

AU - Zhang, Lijun

AU - Chatzichristodoulou, Christodoulos

AU - Chen, Weimin

AU - Hendriksen, Peter Vang

AU - Du, Yong

PY - 2018

Y1 - 2018

N2 - A composition- and temperature-dependent mobility database of all ionic species in the LaCoO3-δ phase was developed and combined with a La-Co-O thermodynamic database to simulate kinetic demixing and partial decomposition in LaCoO3-δ oxygen membranes operated under a 0.0001/0.21 bar oxygen partial pressure difference at 1073 K for 1 year. Formation of La2O3, Co3O4 and CoO phases across the membrane is predicted. The kinetic demixing process can be divided into two stages, namely, establishment of the oxygen potential gradient (fast) and demixing of the cations (slow); the former is controlled by the mobility of oxygen ions, and the latter is determined by the higher mobility of Co ions as compared to the La ion in the ABO3-type perovskite. A drift motion of both oxide surfaces towards the high PO2 side occurs with the movement of cations.

AB - A composition- and temperature-dependent mobility database of all ionic species in the LaCoO3-δ phase was developed and combined with a La-Co-O thermodynamic database to simulate kinetic demixing and partial decomposition in LaCoO3-δ oxygen membranes operated under a 0.0001/0.21 bar oxygen partial pressure difference at 1073 K for 1 year. Formation of La2O3, Co3O4 and CoO phases across the membrane is predicted. The kinetic demixing process can be divided into two stages, namely, establishment of the oxygen potential gradient (fast) and demixing of the cations (slow); the former is controlled by the mobility of oxygen ions, and the latter is determined by the higher mobility of Co ions as compared to the La ion in the ABO3-type perovskite. A drift motion of both oxide surfaces towards the high PO2 side occurs with the movement of cations.

KW - LaCoO3-δ

KW - Kinetic demixing/decomposition

KW - Oxygen potential gradient

KW - Oxygen membrane

U2 - 10.1016/j.memsci.2017.11.033

DO - 10.1016/j.memsci.2017.11.033

M3 - Journal article

SN - 0376-7388

VL - 548

SP - 526

EP - 539

JO - Journal of Membrane Science

JF - Journal of Membrane Science

ER -