Data Fusion for the Prediction of Elemental Concentrations in Polymetallic Sulphide Ore Using Mid-Wave Infrared and Long-Wave Infrared Reflectance Data

The increasing availability of complex multivariate data yielded by sensor technologies permits qualitative and quantitative data analysis for material characterization. Multivariate data are hard to understand by visual inspection and intuition. Thus, data-driven models are required to derive study-specific insights from large datasets. In the...

Chemometric Analysis of Mid-Wave Infrared Spectral Reflectance Data for Sulphide Ore Discrimination

Despite significant recent advancements in the sensor technologies, the use of sensors for raw material characterization in the mining industry remains limited. The aim of the present study was to assess the utility of applying the mid-wave infrared (MWIR) reflectance data acquired by the use of a handheld Fourier-transform infrared...

The electrochemical sodiation of sb investigated by Operando X-ray absorption and ¹²¹ sb mössbauer spectroscopy: What does one really learn?

In this study, we want to highlight the assets and restrictions of X-ray absorption spectroscopy (XAS) and Mössbauer spectroscopy for investigating the mechanism of the electrochemical reaction of antimony electrode materials vs. Na. For this, operando XAS was carried out during the first one and a half cycles, and the whole set of measured...

Insights into the Activity and Deactivation of the Methanol-to-Olefins Process over Different Small-Pore Zeolites As Studied with Operando UV-vis Spectroscopy

The nature and evolution of the hydrocarbon pool (HP) species during the Methanol-to-Olefins (MTO) process for three small-pore zeolite catalysts, with a different framework consisting of large cages interconnected by small eight-ring windows (CHA, DDR, and LEV) was studied at reaction temperatures between 350 and 450 °C using a combination...

In-line monitoring of solvents during CO₂ absorption using multivariate data analysis

Chemometric Optimization Studies in Catalysis Employing High-Throughput Experimentation

The main topic of this thesis is the investigation of the synergies between High-Throughput Experimentation (HTE) and Chemometric Optimization methodologies in Catalysis research and of the use of such methodologies to maximize the advantages of using HTE methods. Several case studies were analysed including: 1) the exploration of a terpene...

Neutron activation analysis and X-ray Rayleigh and Raman scattering of hair and nail clippings as noninvasive bioindicators for Cu liver status in Labrador Retrievers

The heritability of chronic hepatitis in the Labrador Retriever is studied with the aim of identifying the related gene mutation. Identification of cases and controls is largely based on instrumental neutron activation analysis (INAA) Cu determination in liver biopsies. The burden for these companion animals may be reduced if nail clippings and...