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Experimental and computational optimisation of methanol dehydration to dimethyl ether

Experimental and computational optimisation of methanol dehydration to dimethyl ether
Experimental and computational optimisation of methanol dehydration to dimethyl ether
Meeting the International Maritime Organization's net-zero target by 2050 necessitates the replacement of marine fossil fuels with sustainable alternatives, such as dimethyl ether (DME). Silicon-doped aluminophosphate (SAPO) solid acid catalysts, particularly the weakly-acidic SAPO-11, can catalyse the selective dehydration of methanol-to-DME with exceptional stability. Herein, we present a combined experimental, computational fluid dynamics, and design of experiments study to augment catalyst efficiency and DME production, and to support scale-up endeavours. Using a four-dimensional design surface, it was found that longer catalyst beds and higher operating temperature increase DME yields, with the catalyst bed length having a more pronounced influence. In contrast, the use of highly concentrated methanol reactant streams had a detrimental effect and this was ascribed to a saturation of the active sites in the SAPO-11 catalyst. Improved single-pass conversions and catalyst longevity on industrial scales can thus be achieved by optimising both the number of acid sites in SAPO-11 and reaction parameters.
2044-4753
3216-3225
Walerowski, Maciej Grzegorz
ed579c7b-aae2-4426-a50d-d2d8bfe11dbb
Kyrimis, Stylianos
04c45390-bda3-4aab-9c11-42f5c2c308b0
Potter, Matthew
34dee7dc-2f62-4022-bb65-fc7b7fb526d2
Oakley, Alice
96be59c2-1bf8-4f05-a942-bfac1f81bdea
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Armstrong, Lindsay-Marie
db493663-2457-4f84-9646-15538c653998
Raja, Robert
74faf442-38a6-4ac1-84f9-b3c039cb392b
Walerowski, Maciej Grzegorz
ed579c7b-aae2-4426-a50d-d2d8bfe11dbb
Kyrimis, Stylianos
04c45390-bda3-4aab-9c11-42f5c2c308b0
Potter, Matthew
34dee7dc-2f62-4022-bb65-fc7b7fb526d2
Oakley, Alice
96be59c2-1bf8-4f05-a942-bfac1f81bdea
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Armstrong, Lindsay-Marie
db493663-2457-4f84-9646-15538c653998
Raja, Robert
74faf442-38a6-4ac1-84f9-b3c039cb392b

Walerowski, Maciej Grzegorz, Kyrimis, Stylianos, Potter, Matthew, Oakley, Alice, Carravetta, Marina, Armstrong, Lindsay-Marie and Raja, Robert (2025) Experimental and computational optimisation of methanol dehydration to dimethyl ether. Catalysis Science & Technology, 15 (10), 3216-3225. (doi:10.1039/D5CY00062A).

Record type: Article

Abstract

Meeting the International Maritime Organization's net-zero target by 2050 necessitates the replacement of marine fossil fuels with sustainable alternatives, such as dimethyl ether (DME). Silicon-doped aluminophosphate (SAPO) solid acid catalysts, particularly the weakly-acidic SAPO-11, can catalyse the selective dehydration of methanol-to-DME with exceptional stability. Herein, we present a combined experimental, computational fluid dynamics, and design of experiments study to augment catalyst efficiency and DME production, and to support scale-up endeavours. Using a four-dimensional design surface, it was found that longer catalyst beds and higher operating temperature increase DME yields, with the catalyst bed length having a more pronounced influence. In contrast, the use of highly concentrated methanol reactant streams had a detrimental effect and this was ascribed to a saturation of the active sites in the SAPO-11 catalyst. Improved single-pass conversions and catalyst longevity on industrial scales can thus be achieved by optimising both the number of acid sites in SAPO-11 and reaction parameters.

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More information

Accepted/In Press date: 2 April 2025
e-pub ahead of print date: 3 April 2025
Additional Information: Publisher Copyright: © 2025 The Royal Society of Chemistry.

Identifiers

Local EPrints ID: 501405
URI: http://eprints.soton.ac.uk/id/eprint/501405
ISSN: 2044-4753
PURE UUID: 9925e79b-b699-4865-9dc6-a2f0984556aa
ORCID for Maciej Grzegorz Walerowski: ORCID iD orcid.org/0009-0006-4763-8169
ORCID for Matthew Potter: ORCID iD orcid.org/0000-0001-9849-3306
ORCID for Alice Oakley: ORCID iD orcid.org/0000-0002-5489-9424
ORCID for Marina Carravetta: ORCID iD orcid.org/0000-0002-6296-2104
ORCID for Robert Raja: ORCID iD orcid.org/0000-0002-4161-7053

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Date deposited: 30 May 2025 16:48
Last modified: 31 May 2025 02:12

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Contributors

Author: Maciej Grzegorz Walerowski ORCID iD
Author: Stylianos Kyrimis
Author: Matthew Potter ORCID iD
Author: Alice Oakley ORCID iD
Author: Robert Raja ORCID iD

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