Quantitative X-ray diffraction and X-ray fluorescence analyses of mixtures – unified and simplified

Abstract

Owing to the complex matrix effects, the current approach to quantitative X-ray diffraction (XRD) and X-ray fluorescence (XRF) analyses of mixtures requires calibration lines from standards, and is hence tedious and time consuming. New insights reveal that both the matrix effects and the calibration lines can be eliminated mathematically. Any complex mixture can be transformed into a set of simple binary mixtures. One straightforward formula decodes both XRD and XRF. A single XRD or XRF scan quantifies the chemical compounds or chemical elements in any mixture. The unified and simplified procedure reduces by some 80% the laboratory work associated with current practice. Five sets of experimental data are presented to verify its applications. Statistical evaluation of this new procedure gives a precision of ±5% or better, which is normally expected from XRD and XRF analyses.