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Enhancing process development using high throughput technologies a case study using an L-proline catalysed aldol reaction

Lookup NU author(s): Dr Katarina Novakovic, Dr Christophe Grosjean, Dr Mark Willis, Professor Allen Wright


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The objective of this work is to use a robotic workstation in conjunction with process systems analysis tools to enhance process development. A case study using an L-proline catalysed aldol reaction is used to demonstrate that, in conjunction with appropriate experimental designs, meaningful data streams for mechanistic / kinetic studies can be generated. It is shown that for this system small scale (13ml) reactors in a robotic high throughput platform may be used for (1) initial screening of potential solvents through assessment of the solubility and miscibility characteristics of the reactants and catalyst (2) determination of the concentrations of reactants and catalyst that maximise the production of aldol. To assess reaction thermo chemistry and at the same time generate data suitable for detailed mechanistic modelling a large scale (1 litre) calorimeter is used. The experimental data allowed a novel reaction network for the L-proline catalysed aldol reaction to be proposed and verified through a kinetic modelling exercise.

Publication metadata

Author(s): Novakovic K, Grosjean C, Schutz T, Willis MJ, Wright A, Whiting A

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: 17th International Congress of Chemical and Process Engineering (CHISA)

Year of Conference: 2006

Pages: 583

Publisher: CSCHI

Library holdings: Search Newcastle University Library for this item

ISBN: 8086059456