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首页> 外文期刊>Electrocatalysis >Fates of Hydrogen During Alumina Growth Below Yttria Nodules in FeCrAl(RE) at Low Partial Pressures of Water
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Fates of Hydrogen During Alumina Growth Below Yttria Nodules in FeCrAl(RE) at Low Partial Pressures of Water

机译：氧化铝生长期间氢气的释放率低于水分（RE）低于水的嗜酸盐（RE）

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Oxidation of FeCrAl(Re), when exposed to similar to 35 ppm of water as sole supply of oxygen in predominantly nitrogen atmosphere, has two characteristic signatures. One is the internal nitridation owing to chromia nodules acting windows toward nitrogen permeation locally short-circuiting the protective alpha-Al2O3 scale. The second remarkable feature is the growth of thick, apparently defect-rich alumina scale under yttria-rich nodules. Hence, one part of the present study comprises exploratory DFT calculations to discriminate between the impacts of chromia and yttria viz. nitrogen permeation. The second part concerns boundary conditions for apparent rapid growth of alumina under yttria nodules. Yttria-associated surface energy stabilization of defect-rich alumina in presence of water was argued to involve hydrolysis-driven hydroxylation of said interface. Subsequent inward growth of the alumina scale was associated with outward diffusion of oxygen vacancies to be accommodated by the remaining proton producing a hydride ion upon surfacing at yttria-decorated alumina interfaces. The latter comprises the cathode process in a quasi-Wagnerian context. Two fates were discussed for this surface ion. One has H--H+ recombination to form H-2 at the interface in conjunction with OH- accommodation upon hydration, while the second allows hydrogen to be incorporated at V-O sites in hydroxylated grain boundaries of the growing alumina scale. The latter was taken to explain the experimentally observed rapid oxide growth under yttria-rich nodules. Space charge due to proton reduction was proposed to cause transient inward cationic drag.
机译：群体（RE）的氧化，当暴露于35ppm的水时，作为主要氮气氛的唯一氧气供应，具有两个特征签名。由于染色体结节作用窗户朝向氮气渗透的氮气渗透到局部短路的保护性α-Al2O3等级，是一种是内部氮化。第二个显着特征是富含ytTRIA的结节下浓稠的，显然缺乏缺陷的氧化铝量表。因此，本研究的一部分包括探索性DFT计算，以区分亚比亚和yttra viz的影响。氮渗透。第二部分涉及氧化钇结节下明显快速生长的边界条件。基于水的存在缺陷的氧化铝的yTTria相关表面能量稳定，以涉及所述界面的水解驱动的羟基化。随后的氧化铝量表的向内生长与氧空位的向外扩散有关，该剩余的质子在ytTria装饰的氧化铝界面上产生氢化物离子。后者包括在准牵引背景中的阴极过​​程。讨论了两个表面离子。一种具有H-H +重组以在水合时结合OH-容纳在界面中形成H-2，而第二种允许氢掺入生长氧化铝量表的羟基化晶界的V-O位点。后者被认为在富钇的结节下进行实验观察到的快速氧化物生长。提出了由于质子还原引起的空间电荷，以引起瞬态向内阳离子拖动。

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