Figure 2. Simulated data (symbols) and noise-free concentration profiles (curves) obtained at 40 °C using experimental settings in Table 4, kinetic coefficients in
Table 5 and measurement errors in Table 6: a) SM1; b) D; c) SM2; d) P.
In the initial case study, three new sequential experiments are designed one-at-a-time. In the first step, one A-optimal experiment is designed and the parameters are estimated using both the old and the new data. Next, these parameter estimates and all of the data obtained are used to design a second sequential experiment. Finally, a third experiment is designed using parameter estimates and data from previous steps. For comparison, three new experiments are designed all-at-once based on the old data in Figure 2 and corresponding parameter estimates.
Table 7. Lower and upper bounds for the decision variables