期刊
SOLID STATE IONICS
卷 249, 期 -, 页码 6-16出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.ssi.2013.07.011
关键词
Perovskite ceramics; Transport processes; Permeation; Modeling; Nernst-Planck-Poisson
资金
- National Science Foundation MRSEC program at the Colorado School of Mines [DMR-0820518]
- Office of Naval Research [N00014-12-1-0201]
A computational approach is implemented to characterize multicomponent charged-defect transport and apparent gas-phase permeation associated with proton-conducting perovskite membranes across a very wide range of gas-phase environments. The Nernst-Planck-Poisson (NPP) model predicts charged-defect and electrostatic-potential profiles within the membrane as well as apparent gas-phase fluxes entering and leaving the membrane surfaces. Results are represented as two-dimensional contour maps, enabling the large amounts of information to be presented in a compact graphical format. The results provide qualitative and quantitative insights about membrane permeation phenomena as functions of gas-phase environments across the membrane. Although the study considers the properties of a particular yttria-doped barium zirconate (BZY20), the modeling approach and qualitative insights are more widely applicable to classes of similar materials. (C) 2013 Elsevier B.V. All rights reserved.
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