Measurement and modelling of semi-batch reactions using small-scale reaction calorimetry, in-situ spectroscopy and gas consumption/production
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A classification methodology for the automatic detection of start- and endpoints of chemical and biotechnological reaction systems from spectral reaction data is proposed. In the calibration phase, several batch experiments must be conducted covering the e ...
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The use of Process Analytical Technologies (PATs) recommended by the Food and Drug Administration (FDA) has significantly increased during the past years in the design, control and monitoring of pharmaceutical or chemical manufacturing processes [1]. Nowad ...
Monitoring, control and optimization of chemical reaction systems often requires in-depth analysis of the underlying reaction mechanisms. This dissertation investigates appropriate tools that facilitate the analysis of homogeneous and gas-liquid reaction s ...
Dimethylaminonitrene complexes of IMesM+ (IMes = 1,3-bis(2,4,6-trimethylphenyl)- imidazol-2-ylidene; M = Cu, Ag, Au) were prepared in the gas phase and structurally characterized by high-resolution infrared spectroscopy of the cold species, ion-molecule re ...
In recent years, chemometric methods for the analysis of multivariate kinetic data have considerably progressed. Kinetic hard-modelling is one of these methods that is based on the rate law and used to determine the kinetic parameters (e.g. rate constants) ...
A combined synchrotron X-ray diffraction, Raman scattering, and infrared spectroscopy study of the pressure-induced changes in H3BO3 to 10 GPa revealed a new high-pressure phase transition between 1 and 2 GPa followed by chemical decomposition into cubic H ...
Recent explosions at two chemical plants, one in the United States and one in Japan, involving hydroxylamine manufacture underline the lack of mechanistic understanding about this industrially relevant compound. The basic chemical properties of hydroxylami ...
The goal of our project (HES-SO n°11246) is to develop chemometric methods that enhance the development of chemical reactions. Semi-batch experiments are performed using a fully automated chemical reactor. Real-time analytical data, infrared (IR) spectra f ...
