Description
Book SynopsisIn recent years, spectroscopy has developed into an increasingly valuable tool to determine the composition of mixtures; for scientific questions as well as for the industry. The increasing use of spectroscopy raises the question how to best use the obtained data. For the analysis of spectral data, the method of Indirect Hard Modeling (IHM) has been established besides statistical methods like PLS. IHM is a nonlinear method that can therefore efficiently treat nonlinear effects such as peak-shifts. In the present work, the IHM method is expanded to increase its applicability.
IHM treats nonlinear effects in the spectral evaluation. Therefore, the direct proportionality between the concentration and the Raman signal of a component can be used for calibration. The resulting linear calibration model allows for reliable extrapolation. Thus, IHM can be used to study reactive systems, even if only binary subsystems can be used for calibration. However, thermodynamic systems with int
