QuantAS™: Quantitative analysis using scans

Significance of the topic

Modern industrial and research laboratories require flexible, rapid and robust elemental screening methods capable of handling diverse sample types with minimal calibration effort. Semi-quantitative X-ray fluorescence (XRF) analysis fills this need by providing reliable elemental or oxide composition data for solids, powders and liquids when standards are unavailable or when unknown matrices must be characterized.

Objectives and study overview

The QuantAS package was developed to integrate seamlessly into Thermo Scientific’s OXSAS environment on ARL 9900 and ARL PERFORM’X WDXRF spectrometers. Its goals are:

• Deliver semi-quantitative multi-element analysis without dedicated calibration curves
• Cover elements from fluorine through uranium in a single workflow
• Support routine or ad-hoc samples across a wide range of matrices
• Enable batch operation and unattended analyses via autosamplers

Applied instrumentation

The system configuration includes:

• Thermo Scientific ARL PERFORM’X or ARL 9900 WDXRF spectrometers
• Universal gearless XRF goniometer with fine collimator
• Detector crystals (LiF220, LiF200, PET, AX06) selected for optimal element coverage
• Optional large-capacity X-Y autosampler for solids, powders and liquids
• Film and helium path correction accessories for low-Z elements

Methodology and data processing

QuantAS employs a scan-based workflow using fundamental-parameter models (COLA) and alpha-factors:

1. Spectrum smoothing and noise reduction
2. Initial element search, background calculation and subtraction
3. Secondary element search and spectral overlap correction
4. Application of fundamental-parameter corrections with pure intensity references
5. Film thickness and helium atmosphere adjustments
6. Type standardization via user-defined spectral fingerprints
7. Concentration calculation and normalization to 100% matrix sum

Main results and discussion

QuantAS was evaluated on diverse certified reference materials spanning steels, aluminum alloys, copper alloys, cements, clays, soils, sediments, coal and polymers. Key findings include:

• Major and minor oxides quantified within 1–3% relative deviation from certified values
• Trace elements detected down to low ppm with accuracy typically better than ±30%
• Unknown constituents identified and reported where present
• Analysis times of 3–12 minutes per sample, programmable up to 20 hours for extended scans

Results demonstrate consistent performance across irregular solids, powders and thin films without the need for matrix‐specific standards.

Benefits and practical applications

QuantAS offers laboratories and process controls:

• Rapid multi‐element profiling for quality assurance and R&D
• Minimal standard requirements, reducing preparation time and cost
• Versatility in handling mixed or unknown samples
• Unattended batch analysis for high throughput environments

Future trends and potential applications

Advances likely to further enhance semi-quantitative XRF include:

• Integration of machine learning for adaptive matrix corrections
• Real-time process monitoring with inline sampling
• Extended libraries of fingerprint standards for complex polymers and composites
• Automation of method development and self-calibrating routines

Conclusion

QuantAS bridges the gap between qualitative XRF screening and fully quantitative calibrations, delivering reliable elemental and oxide compositions across a broad spectrum of sample types. Its integration in OXSAS, compatibility with ARL 9900 and PERFORM’X spectrometers, and use of fundamental-parameter models make it an indispensable tool for modern analytical laboratories.

References

Thermo Fisher Scientific. QuantAS: Quantitative analysis using scans, Product Specification No. 41117.