Sequential experimental design rival models

Buzzi-Ferraris, G. and P. Forzatti, "A New Sequential Experimental Design Procedure for Discriminating Among Rival Models", Chem. Eng. Sci., 38, 225-232(1983). 

The text reviews the methodology of kinetic analysis for simple as well as complex reactions. Attention is focused on the differential and integral methods of kinetic modelling. The statistical testing of the model and the parameter estimates required by the stochastic character of experimental data is described in detail and illustrated by several practical examples. Sequential experimental design procedures for discrimination between rival models and for obtaining parameter estimates with the greatest attainable precision are developed and applied to real cases. 

A simple approach for sequential experimental design is to determine the divergence of the predictions between two rival models at certain experiment settings... 

Sequential Experimental Design. When the kinetic model construction occurs in parallel with the experimentation, the modeler may provide feedback to the experimenter about at what conditions to perform a following experiment in order to achieve a discrimination between various rivaling models in a minimum... 

Fig. 11. Structure of a sequential experimental design for discrimination between rivaling models.

Van Parijs et al. [1986] applied sequential discrimination in their experimental study of benzothiophene hydrogenolysis. The final rate equations were already given in Example 2.6.4.A. The efficiency of the sequential discrimination was remarkable. At 533 K, a total of seven experiments (four preliminary, three designed) were sufficient to reject 14 out of 16 rivals. Only one of the two remaining models was consistently the best at 513, 553, and 573 K also, after four, five and nine designed experiments, respectively. A total of 41 experiments sufficed to select the best among the postulated rate equations. The location of the settings of these experiments is shown in Fig. 2.7.2.2.A-1 of Example 2.7.2.2.A. 

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