A Novel Internet-Based Reaction Monitoring, Control and Autonomous Self-Optimization Platform for Chemical Synthesis
Type
Article
Change log
Authors
Abstract
We have developed a modular software system that enables researchers to monitor and control chemical reactions via the internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self-optimize reaction parameters to find the best conditions meeting customizable, multi-component optimization functions. In this report, we demonstrate its utility as applied to reaction automation to maximize the output from a fixed volume of catalyst. We also showcase its ability to optimize a three dimension heterogeneous catalytic reaction and a five dimension Appel reaction against various target functions.
Description
Keywords
Synthesis automation, self-optimization, computer control, internet of things
Journal Title
Organic Process Research and Development
Conference Name
Journal ISSN
1083-6160
1520-586X
1520-586X
Volume Title
20
Publisher
American Chemical Society (ACS)
Publisher DOI
Sponsorship
Engineering and Physical Sciences Research Council (EP/K009494/1)
Engineering and Physical Sciences Research Council (EP/M004120/1)
Engineering and Physical Sciences Research Council (EP/K039520/1)
Engineering and Physical Sciences Research Council (EP/M004120/1)
Engineering and Physical Sciences Research Council (EP/K039520/1)
We are grateful to the Woolf Fisher Trust (D.E.F), Pfizer Worldwide Research and Development (C.B.) and EPSRC (S.V.L., grant codes EP/K009494/1, EP/M004120/1 and EP/K039520/1) for financial assistance.