Quantitative analysis of nanometer anatase-rutile mixtures via experimentation and theoretical calculation

In this paper, we developed a method based on X-ray diffractometry for determining the weight ratio of nanometer anatase to rutile or their relative amounts in TiO₂ polymorphs, and corresponding formulas for such determination were put forward. The very key constant K in these formulas has been specially evaluated by experimentalizing nanometer polymorphs of titanium dioxide. Furthermore, a theoretical value of K was obtained through detailed theoretical calculation based on X-ray powder diffraction theory. The K value concluded from experimentation coincides well with that yielded from theoretical calculation, thus the validity and reliability of the experimental K value has been further confirmed. This coincidence may also suggest the applicability of X-ray powder diffraction theory to nanometer crystals. With this method, the relative amounts of nanometer anatase and rutile in their mixtures or the weight ratio of nanometer anatase to rutile in any a mixture can be easily determined only upon a XRD test.