Home > Research > Publications & Outputs > Enhanced process development using automated co...

Research

Electronic data

  • 1-s2.0-S0040402018302217-main

    Rights statement: This is the author’s version of a work that was accepted for publication in Tetrahedron. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Tetrahedron, 74, (25) 2018 DOI: 10.1016/j.tet2018.02.061

    Accepted author manuscript, 1.02 MB, PDF document

    Available under license: CC BY-NC-ND: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License

Links

Text available via DOI:

Keywords

View graph of relations

Enhanced process development using automated continuous reactors by self-optimisation algorithms and statistical empirical modelling

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Published
Close
More...
<mark>Journal publication date</mark>21/06/2018
<mark>Journal</mark>Tetrahedron
Issue number25
Volume74
Number of pages7
Pages (from-to)3158-3164
Publication StatusPublished
Early online date27/02/18
<mark>Original language</mark>English

Abstract

Reaction optimisation and understanding is fundamental for process development and is achieved using a variety of techniques. This paper explores the use of self-optimisation and experimental design as a tandem approach to reaction optimisation. A Claisen-Schmidt condensation was optimised using a branch and fit minimising algorithm, with the resulting data being used to fit a response surface model. The model was then applied to find new responses for different metrics, highlighting the most important for process development purposes.

Bibliographic note

This is the author’s version of a work that was accepted for publication in Tetrahedron. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Tetrahedron, 74, (25) 2018 DOI: 10.1016/j.tet2018.02.061