Automated optimization under dynamic flow conditions

Abstract

Automated optimization in flow reactors is a technology that continues to gain interest in academic and industrial research. For drug substance applications, where limited material is available for extensive studies,...

Quid Pro Flow

“…Other major areas of development include automation, real-time inline analysis, and self-optimization, which enables kinetic studies and rapid screening of reaction and materials space. , The potential insight these areas offer for robust discovery and deep understanding of reactions and materials assembly has caught the attention of many newcomers to the field.…”

Ultra-fast and sustainable formal [3 + 3] cycloadditions enabled by mixed variable optimization on an automated micromole scale flow platform

“…[14][15][16][17][18][19][20][21] Most of the existing studies exploit the power of autonomous self-optimizing flow reactors by optimizing continuous variables, while discrete variables, which are also crucial on the reaction outcomes, are often overlooked due to the limitations of most feedback algorithms. [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37] An approach to address this problem has been proposed by Jensen et al who developed an automated continuous flow droplet screening system allowing simultaneous discrete and continuous variable optimization through the use of a mixedinteger nonlinear program algorithm. 38 Their approach was efficiently confronted to several chemical transformations, including Pd-catalyzed, 39,40 photoredox 41 and S N 2 reactions.…”

Accelerating reaction modeling using dynamic flow experiments, part 1: design space exploration

“…13 They recently also used this approach to optimize a complex objective function for a process and to gain temperature-independent kinetic understanding. 14 Bourne used dynamic flow experiments, examining changes in residence time within a single experiment, with a focus on kinetic model generation. 15 Recently, Hii reported kinetic model determination for two related substrates at a single temperature by simultaneously varying reagent ratio and total flow rate.…”

“…13 They recently also used this approach to optimize a complex objective function for a process and to gain temperature-independent kinetic understanding. 14…”