Spectral modeling
Standard procedures for identifying concentrations from spectral measurements work well for mixtures with linear behavior. When non-linear effects become important or calibration is impossible to perform (e.g. in reactive systems), indirect hard-modeling is a viable alternative.
Case studies & Applications
AixCAPE has performed many industrial case studies in the area of spectral modeling, among others:
- Calibration transfer from one instrument to another
- Influence on peakshift on IHM vs. PLS calibration models
- MIR spectroscopy in a lab/pilot plant batch distillation column
- Calibration with large temperature variations
- Endpoint detection for reactive mixtures
- Indirect Hard Modeling for quality classification of elution profiles in gas chromatography (GC)
Software
Based on the necessities in these innovative applications, the software Peaxact has been continuously developed over the years.
Ingrid Lunt-Rieg successor of Christoph Großmann in the AixCAPE board
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