Lennon, D. , McFarlane, A., Geller, H., Silverwood, I. P., Cooper, R. I., Watkin, D. J., Parker, S. F. and Winfield, J. M. (2016) The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica. Physical Chemistry Chemical Physics, 18(26), pp. 17210-17216. (doi: 10.1039/C6CP01276K) (PMID:27182815)
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Abstract
A modern industrial route for the manufacture of methyl methacrylate involves the reaction of methyl propanoate and formaldehyde over a silica-supported Cs catalyst. Although the process has been successfully commercialised, little is known about the surface interactions responsible for the forward chemistry. This work concentrates upon the interaction of methyl propanoate over a representative silica. A combination of infrared spectroscopy, inelastic neutron scattering, DFT calculations, X-ray diffraction and temperature-programmed desorption is used to deduce how the ester interacts with the silica surface.
Item Type: | Articles |
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Additional Information: | The STFC Rutherford Appleton Laboratory is thanked for access to neutron beam facilities. Computing resources (time on the SCARF compute cluster for the CASTEP calculations and the Gaussian 03 calculations) was provided by STFC’s e-Science facility. Dr David Johnson and Dr Sabina Ziemian (Lucite International) are thanked for helpful discussions. |
Status: | Published |
Refereed: | Yes |
Glasgow Author(s) Enlighten ID: | Winfield, Professor John and Lennon, Professor David and Silverwood, Dr Ian and McFarlane, Dr Andrew |
Authors: | Lennon, D., McFarlane, A., Geller, H., Silverwood, I. P., Cooper, R. I., Watkin, D. J., Parker, S. F., and Winfield, J. M. |
College/School: | College of Science and Engineering > School of Chemistry |
Journal Name: | Physical Chemistry Chemical Physics |
Publisher: | Royal Society of Chemistry |
ISSN: | 1463-9076 |
ISSN (Online): | 1463-9084 |
Published Online: | 09 May 2016 |
Copyright Holders: | Copyright © 2016 Owner Societies |
First Published: | First published in Physical Chemistry Chemical Physics 18(26): 17210-17216 |
Publisher Policy: | Reproduced in accordance with the publisher copyright policy |
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