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http://dx.doi.org/10.9713/kcer.2022.60.4.564

Quntitative Analysis of Calcium Carbonate Polymorphs by Peak Area of XRD  

Bak, Young-Cheol (Department of Chemical Engineering / Engineering Research Institute, Gyeongsang National University)
Publication Information
Korean Chemical Engineering Research / v.60, no.4, 2022 , pp. 564-573 More about this Journal
Abstract
Calcium carbonate (CaCO3) exhibits three polymorphs: calcite with arhombohedral, vaterite with a spherical, and aragonite with a needle-like structure. Qualitative and quantitative analyses of the morphology of CaCO3 are very important to investigate the synthesis of single-crystal vaterite and aragonite. In this work, the polymorphs of calcium carbonate were quantitatively analyzed using XRD. Pure vaterite and pure aragonite were synthesized and the peak distribution of a single phase was analyzed. The vaterite fraction of a mixture of calcite and vaterite was calculated based on the intensity of a specific diffraction peak, and compared to the results based on the peak area. The mean value of fsV (the correction factor for the peak area of vaterite) was 0.654. The phase analysis of calcite-aragonite mixtures was performed, and the mean value of fsA (the correction factor for the peak area of aragonite) was obtained as 0.6713. Using these factors, Eq. (24)~Eq. (32) for the quantitative analysis based on the total peak area of XRD were derived to calculate the phase contents of ternary phase CaCO3. And three-component XRD section was defined considering overlapping sections.
Keywords
Calcium carbonate; Calcite; Vaterite; Aragonite; XRD; Quantitative analysis;
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Times Cited By KSCI : 3  (Citation Analysis)
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