How to calculate the anatase / rutile molar ratio using XRD analysis??
For the phase composition of TiO2, You can use this equation, A (%) = 100/ {1+1.265(IR/IA)} (Anatase %age). to determine rutile phase composition 100- A(%). Also check this paper for reference : R. A. Spurr, H. Myers. Quantitative analysis of anatase-rutile mixtures with an X-Ray diffractometer. Analytical Chemistry, 1957, 29(6): 760-762.
Being the same chemical composition, Anatase/Rutile molar ratio is equal to the weight ratio. For a simple evaluation, without the use of the modern quantitative x-ray powder diffraction fitting program, you can refer to the old paper attached.
Using XRD analysis, the Anatase/Rutile ratio can be found using:
1- The relative intensity method as mentioned by Giunchi.
2- Rietveld refinements method.
For the phase composition of TiO2, You can use this equation, A (%) = 100/ {1+1.265(IR/IA)} (Anatase %age). to determine rutile phase composition 100- A(%). Also check this paper for reference : R. A. Spurr, H. Myers. Quantitative analysis of anatase-rutile mixtures with an X-Ray diffractometer. Analytical Chemistry, 1957, 29(6): 760-762.
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