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Synthesis, reversibility and mechanism of the dehydration of monoclinic CaZn2(PO4)2·2H2O
Journal of Solid State Chemistry ( IF 3.3 ) Pub Date : 2018-06-19 , DOI: 10.1016/j.jssc.2018.06.022
S. Afflerbach , S. Sharma , R. Trettin

The reversibility of the dehydration of monoclinic CaZn2(PO4)2·2H2O to the corresponding monohydrate is proven and the dehydration enthalpy determined by combination of thermal analysis and X-ray diffraction. The mechanism of the monohydrate formation is investigated by scanning electron microscopy (SEM) and temperature dependent in situ X-ray powder diffraction. Mechanistic impact on the powder bulk properties are deduced. As for the orthorhombic dimorph, a crystalline monohydrate species is identified and firstly indexed. Thermal induced changes of the lattice parameters up to the formation of the monohydrate are analyzed. A linear elongation of the lattice parallel to the directions [100] and [001] is found. The corresponding elongation coefficients and the volumetric expansion of the unit cell are determined. With regard to the option of synthetic production of the compound, a possible application of the material for thermochemical energy storage and conversion is conceivable. The relevance of fundamental mechanistic features on the bulk behaviour upon cyclic de- and rehydration is discussed.



中文翻译:

单斜CaZn 2(PO 42 ·2H 2 O的脱水合成,可逆性及机理

证明了单斜晶CaZn 2(PO 42 ·2H 2 O脱水成相应一水合物的可逆性,并且通过热分析和X射线衍射相结合确定了脱水焓。通过扫描电子显微镜(SEM)和温度相关的原位X射线粉末衍射研究了一水合物形成的机理。推论了对粉末松散性能的机械影响。对于斜方晶系的双晶型,首先鉴定结晶的一水合物物种并进行了索引。热引起的变化分析直至一水合物形成的晶格参数。发现晶格平行于方向[100]和[001]的线性伸长。确定了晶胞的相应的伸长系数和体积膨胀。关于化合物的合成生产的选择,可以考虑将该材料用于热化学能量存储和转化的可能应用。讨论了基本机制特征与循环脱水和再水化后的整体行为的相关性。

更新日期:2018-07-12
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