Jump to main content
Jump to site search

Issue 3, 2018
Previous Article Next Article

Optimum catalyst selection over continuous and discrete process variables with a single droplet microfluidic reaction platform

Author affiliations

Abstract

A mixed-integer nonlinear program (MINLP) algorithm to optimize catalyst turnover number (TON) and product yield by simultaneously modulating discrete variables—catalyst types—and continuous variables—temperature, residence time, and catalyst loading—was implemented and validated. Several simulated case studies, with and without random measurement error, demonstrate the algorithm's robustness in finding optimal conditions in the presence of side reactions and other complicating nonlinearities. This algorithm was applied to the real-time optimization of a Suzuki–Miyaura cross-coupling reaction in an automated microfluidic reaction platform comprising a liquid handler, an oscillatory flow reactor, and an online LC/MS. The algorithm, based on a combination of branch and bound and adaptive response surface methods, identified experimental conditions that maximize TON subject to a yield constraint from a pool of eight catalyst candidates in just 60 experiments, considerably fewer than a previous version of the algorithm.

Graphical abstract: Optimum catalyst selection over continuous and discrete process variables with a single droplet microfluidic reaction platform

Back to tab navigation

Supplementary files

Publication details

The article was received on 26 Feb 2018, accepted on 11 Apr 2018 and first published on 11 Apr 2018


Article type: Paper
DOI: 10.1039/C8RE00032H
Citation: React. Chem. Eng., 2018,3, 301-311
  • Open access: Creative Commons BY license
  •   Request permissions

    Optimum catalyst selection over continuous and discrete process variables with a single droplet microfluidic reaction platform

    L. M. Baumgartner, C. W. Coley, B. J. Reizman, K. W. Gao and K. F. Jensen, React. Chem. Eng., 2018, 3, 301
    DOI: 10.1039/C8RE00032H

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements