Novel electrochemical route to cleaner fuel dimethyl ether

Abstract Methanol, the simplest alcohol, and dimethyl ether, the simplest ether, are central compounds in the search for alternative “green” combustion fuels. In fact, they are generally considered as the cornerstones of the envisaged “Methanol Economy” scenario, as they are able to efficiently prod...

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Autores principales:	Giuseppe Cassone, Fabio Pietrucci, Franz Saija, François Guyot, Jiri Sponer, Judit E. Sponer, A. Marco Saitta
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/93bf38028b0d485f89f8fdc8586b9a09
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spelling	oai:doaj.org-article:93bf38028b0d485f89f8fdc8586b9a092021-12-02T16:07:01ZNovel electrochemical route to cleaner fuel dimethyl ether10.1038/s41598-017-07187-82045-2322https://doaj.org/article/93bf38028b0d485f89f8fdc8586b9a092017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-07187-8https://doaj.org/toc/2045-2322Abstract Methanol, the simplest alcohol, and dimethyl ether, the simplest ether, are central compounds in the search for alternative “green” combustion fuels. In fact, they are generally considered as the cornerstones of the envisaged “Methanol Economy” scenario, as they are able to efficiently produce energy in an environmentally friendly manner. However, despite a massive amount of research in this field, the synthesis of dimethyl ether from liquid methanol has never so far been reported. Here we present a computational study, based on ab initio Molecular Dynamics, which suggests a novel synthesis route to methanol dehydration – leading thus to the dimethyl ether synthesis – through the application of strong electric fields. Besides proving the impressive catalytic effects afforded by the field, our calculations indicate that the obtained dimethyl ether is stable and that it can be progressively accumulated thanks to the peculiar chemical pathways characterising the methanol reaction network under electric field. These results suggest that the experimental synthesis of dimethyl ether from liquid methanol could be achieved, possibly in the proximity of field emitter tips.Giuseppe CassoneFabio PietrucciFranz SaijaFrançois GuyotJiri SponerJudit E. SponerA. Marco SaittaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Giuseppe Cassone Fabio Pietrucci Franz Saija François Guyot Jiri Sponer Judit E. Sponer A. Marco Saitta Novel electrochemical route to cleaner fuel dimethyl ether
description	Abstract Methanol, the simplest alcohol, and dimethyl ether, the simplest ether, are central compounds in the search for alternative “green” combustion fuels. In fact, they are generally considered as the cornerstones of the envisaged “Methanol Economy” scenario, as they are able to efficiently produce energy in an environmentally friendly manner. However, despite a massive amount of research in this field, the synthesis of dimethyl ether from liquid methanol has never so far been reported. Here we present a computational study, based on ab initio Molecular Dynamics, which suggests a novel synthesis route to methanol dehydration – leading thus to the dimethyl ether synthesis – through the application of strong electric fields. Besides proving the impressive catalytic effects afforded by the field, our calculations indicate that the obtained dimethyl ether is stable and that it can be progressively accumulated thanks to the peculiar chemical pathways characterising the methanol reaction network under electric field. These results suggest that the experimental synthesis of dimethyl ether from liquid methanol could be achieved, possibly in the proximity of field emitter tips.
format	article
author	Giuseppe Cassone Fabio Pietrucci Franz Saija François Guyot Jiri Sponer Judit E. Sponer A. Marco Saitta
author_facet	Giuseppe Cassone Fabio Pietrucci Franz Saija François Guyot Jiri Sponer Judit E. Sponer A. Marco Saitta
author_sort	Giuseppe Cassone
title	Novel electrochemical route to cleaner fuel dimethyl ether
title_short	Novel electrochemical route to cleaner fuel dimethyl ether
title_full	Novel electrochemical route to cleaner fuel dimethyl ether
title_fullStr	Novel electrochemical route to cleaner fuel dimethyl ether
title_full_unstemmed	Novel electrochemical route to cleaner fuel dimethyl ether
title_sort	novel electrochemical route to cleaner fuel dimethyl ether
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/93bf38028b0d485f89f8fdc8586b9a09
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Novel electrochemical route to cleaner fuel dimethyl ether

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