A Multi-Objective Optimal Experimental Design Framework for Enhancing the Efficiency of Online Model Identification Platforms

Reitze, 2018, Roadmap for a smart factory: a modular, intelligent concept for the production of specialty chemicals, Angew Chem Int Ed Engl, 57, 4242, 10.1002/anie.201711571

Bédard, 2018, Reconfigurable system for automated optimization of diverse chemical reactions, Science, 361, 1220, 10.1126/science.aat0650

Schweidtmann, 2018, Machine learning meets continuous flow chemistry: automated optimization towards the Pareto front of multiple objectives, Chem Eng J, 352, 277, 10.1016/j.cej.2018.07.031

Cherkasov, 2018, OpenFlowChem—a platform for quick, robust and flexible automation and self-optimisation of flow chemistry, React Chem Eng, 3, 769, 10.1039/C8RE00046H

Holmes, 2016, Online quantitative mass spectrometry for the rapid adaptive optimisation of automated flow reactors, React Chem Eng, 1, 96, 10.1039/C5RE00083A

Echtermeyer, 2017, Self-optimisation and model-based design of experiments for developing a C-H activation flow process, Beilstein J Org Chem, 13, 150, 10.3762/bjoc.13.18

Schaber, 2014, Design, execution, and analysis of time-varying experiments for model discrimination and parameter estimation in microreactors, Org Process Res Dev, 18, 1461, 10.1021/op500179r

Hone, 2017, Rapid multistep kinetic model generation from transient flow data, React Chem Eng, 2, 103, 10.1039/C6RE00109B

Reizman, 2012, An automated continuous-flow platform for the estimation of multistep reaction kinetics, Org Process Res Dev, 16, 1770, 10.1021/op3001838

McMullen, 2011, Rapid determination of reaction kinetics with an automated microfluidic system, Org Process Res Dev, 15, 398, 10.1021/op100300p

Robbins, 1952, Some aspects of the sequential design of experiments, Bull Am Math Soc, 58, 527, 10.1090/S0002-9904-1952-09620-8

2014

Marler, 2010, The weighted sum method for multi-objective optimization: new insights, Struct Multidiscipl Optim, 41, 853, 10.1007/s00158-009-0460-7

Zitzler, 1999

Hwang, 1979

Galvanin, 2016, A joint model-based experimental design approach for the identification of kinetic models in continuous flow laboratory reactors, Comput Chem Eng, 95, 202, 10.1016/j.compchemeng.2016.05.009

Maheshwari, 2013, Multiobjective framework for model-based design of experiments to improve parameter precision and minimize parameter correlation, Ind Eng Chem Res, 52, 8289, 10.1021/ie400133m

Manesso, 2017, Multi-objective optimization of experiments using curvature and fisher information matrix, Processes, 5, 63, 10.3390/pr5040063

Burger, 2014, Multi-objective optimization and decision support in process engineering—implementation and application, Chem Ing Tech (Weinh), 86, 1065, 10.1002/cite.201400008

Forte, 2017, Optimal design of laboratory and pilot-plant experiments using multiobjective optimization, Chem Ing Tech (Weinh), 89, 645, 10.1002/cite.201600104

Nöh, 2018, A Pareto approach to resolve the conflict between information gain and experimental costs: multiple-criteria design of carbon labeling experiments, PLoS Comput Biol, 14, 10.1371/journal.pcbi.1006533

Quaglio, 2019, An online reparametrisation approach for robust parameter estimation in automated model identification platforms, Comput Chem Eng, 124, 270, 10.1016/j.compchemeng.2019.01.010

Valera, 2010, The flow’s the thing...or is it? Assessing the merits of homogeneous reactions in flask and flow, Angew Chem Int Ed Engl, 49, 2478, 10.1002/anie.200906095

Mozharov, 2011, Improved method for kinetic studies in microreactors using flow manipulation and noninvasive Raman spectrometry, J Am Chem Soc, 133, 3601, 10.1021/ja1102234

McMullen, 2010, An integrated microreactor system for self-optimization of a Heck reaction: from micro- to mesoscale flow systems, Angew Chem Int Ed Engl, 49, 7076, 10.1002/anie.201002590

Audoly, 2001, Global identifiability of nonlinear models of biological systems, IEEE Trans Biomed Eng, 48, 55, 10.1109/10.900248

Montgomery, 2012

van Rossum, 2003

Cover, 2006

Bard, 1974

Franceschini, 2008, Model-based design of experiments for parameter precision: state of the art, Chem Eng Sci, 63, 4846, 10.1016/j.ces.2007.11.034

Pukelsheim, 1993

Pipus, 2000, Esterification of benzoic acid inmicrowave tubular flow reactor, Chem Eng J, 76, 239, 10.1016/S1385-8947(99)00171-0

Buzzi-Ferraris, 2009, Kinetic models analysis, Chem Eng Sci, 64, 1061, 10.1016/j.ces.2008.10.062