set of data regarding microbial U(VI) reduction investigations via HERFD-XRF + XANES
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\n\nXCT analysis identified a heterogeneous internal structure with pores and metallic inclusions exhibiting diverse sizes, morphologies, and spatial distributions. The results indicate systematic variations in porosity and metal fraction across the solidified slag.
\n\nThe combined dataset shows that integrating XCT with XRD, XRF, and SEM-based Automated minerology links three-dimensional morphology, chemistry, and mineralogy in complex slag–metal systems. Correlation of XRD with SEM-based Automated minerology led to the proper identification of mineral phases present in the complex slag-metal system.
\n\nAlthough viscosity and surface tension can be simulated for experimental methods, the analytical workflow developed in this study provides a foundation for future research to quantify liquid slag viscosity and surface tension using XCT analysis. The technique-coupled correlative approach shows the necessity of a correlative workflow in an analysis.
\n\n\n\n
X-ray computed tomography (XCT) datasets
\n\nZip file with raw and reconstructed datasets from XCT for each of the subsamples from SWS_Bulk sample. For each scan, the folder is named as Sample_X, for example, Sample 1, and contains the raw data (“WS_S1_scan_00xxxx.tif), the “acquisition settings XRE.txt” file with the XCT scan information and a folder named “recon_WS_S1”, which refers to data reconstructed using Panthera software, a software based on filtered back projection algorithm. The reconstructed data corresponds to xy slices in .tif format.
\n\n\n\n
Micro X-ray Fluorescence Spectroscopy (µXRF) datasets
\n\n“SWS XRF data” folder: excel file
\n\nContains modal composition of the Secondary Waelz slag and the file is in the .xlsx format.
\n\n\n\n
SEM-based Automated Mineralogy (MLA)
\n\n“SEM_Automated Mineralogy” folder contains BSE images and elemental maps of the MLA datasets for the sample SWS_S4 are .bmp or .png files. Bruker spectra are saved as .spx. and the .xlsx file contain the Measurement parameters, Modal minerology and Mineral reference.
\n\nMLA measurement parameters:
\n\nVoltage: 25 kV
\n\nSpot size: 4.46
\n\nSpecimen current: 10 nA
\n\nWorking distance: 13 mm
\n\nPixel Resolution: 1000
\n\nHorizontal field width: 1000 microns
\n\nBSE calibration (Cu): 244 BSE
\n\nX ray mapping BSE range: 30-255 BSE
\n\n\n\n
MLA Measurement mode: GXMAP
\n\nStep size: 10 microns
\n\nMin feature size: ca.2 microns
\n\nDwell time: 16 microsec
\n\nX ray acquisition time: 6 ms
\n\n\n\n
MLA Measurement mode: XMOD
\n\nStep size: 25 microns
\n\nDwell time: 8 microsec
\n\nX ray acquisition time: 8 ms
\n\nAvg Number X ray points: 533785
\n\n\n\n
X ray Diffraction (XRD)
\n\n“SWS_XRD data” folder contains the XY file from the measurement, a figure of the XRD intensity plot, the weight percent quantification of the phases and the “SWS_Profex_BGMN_refined_XRD” folder, it contains the refined structural files of phases, BGMN refinement parameter file and XRD device measurement file.
\n\nXRD Measurement parameter
\n\nTube. Cobalt X ray tube
\n\nVoltage. 35 kV
\n\nCurrent: 35 mA
\n\nFilter: Iron- beta filter
\n\nTheta – range: 5 to 80
\n\nStep size_ 0.0131 degrees
\n\nSample area: 15 X 12 mm
\n\nDuration: 153 min
\n\nReference database: ICDD PDF-5+ 2026
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