Methods for combined determination of isothermal calorimetric and infrared reaction data

53 Methods for combined determination of isothermal calorimetric and infrared reaction data 

Equation 8.18 presented the general, non-linear optimisation method for calorimetric measurements based on a reaction model, and Equation 8.20 presented the general, non-linear optimisation method for spectroscopic measurements based on a reaction model. A comparison of these two equations reveals that the non-linear parameters dit...tNp, which are defined by the reaction model, are common to both equations. Only the linear parameters in these equations (E and Ar H. ..v,..) are different. As the linear parameters in both 

In this equation, Wq and W[r are weighting factors that express the importance of the residuals obtained in the calorimetric and infrared determinations, respectively. The definition of these weightings is crucial for the results that are obtained, but is not at all straightforward. Recently, an approach to this problem based on an automated sensitivity analysis has been reported [17]. Besides tackling this problem of mathematically combining the evaluation of two different signals measured for the same experiment, we shall demonstrate in Section 8.3 that the application of both measurement techniques in parallel has synergistic effects for the clarification of the physical and chemical processes that are involved in the one experiment. 

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