Beilstein J. Org. Chem.2017,13, 150–163, doi:10.3762/bjoc.13.18
; flow chemistry; processmodelling; self-optimisation; Introduction
The development of manufacturing processes to produce functional molecules, such as pharmaceuticals or fine chemicals, often relies on experience and trial-and-error, rather than on mechanistic process models [1]. The only reason for
]. Performing MBDoE in the processmodelling software gPROMS [22] resulted in a design indicating the experimental conditions, the reaction times and the number of samples required in each experiment for the estimation of a particular parameter or the combination of parameters. Table 2 shows the different
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Graphical Abstract
Figure 1:
A framework of closed-loop or self-optimisation combining smart DoE algorithms, process analytics, ...