Rietveld refinement of a sulfide corrosion powder

Sulfide corrosion is a common occurrence in petroleum (gas) pipelines and sanitary sewers. Design of new corrosion resistant materials is based on the knowledge of chemical compounds present in the sulfide corrosion powder.

X-ray diffraction data were collected on a sulfide corrosion sample using Rigaku's Ultima IV multipurpose diffraction system. Phases were identified as shown in Figure 1.

X-ray diffraction data
Figure 1

Based on a model structure, calculated from these phases, Rietveld analysis was performed. Figure 2 shows the experimental data (orange), the resultant calculated data (green) and the residual (top blue).

experimental data, calculated data and residual
Figure 2

A screen shot from the Jade Whole Pattern Fitting ( WPF ) software module for Rietveld analysis shows the residual parameters of the refinement including R/E (Figure 3).

X-ray diffraction data
Figure 3

R/E is a fitting parameter that quantifies the result of the fit, relative to what is theoretically possible. Quantitative results from the analysis are presented in Figure 4.

Quantitative results
Figure 4

Ultima IVThe Ultima IV represents the state-of-the-art in multipurpose X-ray diffraction (XRD) systems. Incorporating Rigaku's patented cross beam optics (CBO) technology for permanently mounted, permanently aligned and user-selectable parallel and focusing geometries, the Ultima IV X-ray diffractometer can perform many different measurements...fast. Read more about Rigaku's Ultima IV...

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