Multivariate Modeling and Chemometric Resolution of Mixture Spectra in Dynamic Reaction Systems
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In Control System Theory, the study of continuous-time, finite dimensional, underdetermined systems of ordinary differential equations is an important topic. Classification of systems in different categories is a natural initial step to the analysis of a g ...
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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 ...
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In industry, spectroscopy is used to monitor batch chemical reactions and to maximize production of a material for a minimum cost. However, there are many challenges involved in using spectroscopic methods to characterize reaction systems that undergo crys ...
The process industries are characterized by a large number of continuously operating plants, for which optimal operation is of economic importance. However, optimal operation is particularly difficult to achieve when the process model used in the optimizat ...
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) ...
Solid Oxide Fuel Cells (SOFC) are energy conversion devices that produce electrical energy via the reaction of a fuel with an oxidant. Although SOFCs have become credible alternatives to non-renewable energy sources, efforts are still needed to extend thei ...
In this case study, we apply a recently developed method to systematically predict the linear dependencies in concentration profiles and identify minimum requirements to enable optimisation of rate constants and pure component spectra via direct multivaria ...