MODEL DISCRIMINATION VIA DESIGNED EXPERIMENTS - DISCRIMINATION BETWEEN THE TERMINAL AND PENULTIMATE MODELS BASED ON RATE DATA

摘要

Simulations have been used to study the application of model discrimination methods to the problem of discriminating between the terminal and penultimate copolymerization models on the basis of composition and rate data. Both models are reviewed and the three model discrimination methods chosen for study are explained. Composition data have been used in conjunction with rate data due to the high correlation between estimated parameters based solely on rate data. This correlation has been discussed. The simulation programs are then explained including the generation of simulated data. Data are presented to show that the simulation programs can duplicate the experimental observations of other researchers. The results show that both the modified Buzzi-Ferraris method and the exact entropy method are able to correctly discriminate between the models in greater than 95% of the simulations. Differences between the three model discrimination methods are discussed along with differences between the three copolymer measurements that have been studied. [References: 42]