Novel electrochemical route to cleaner fuel dimethyl ether

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081707%3A_____%2F17%3A00485634" target="_blank" >RIV/68081707:_____/17:00485634 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1038/s41598-017-07187-8" target="_blank" >http://dx.doi.org/10.1038/s41598-017-07187-8</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41598-017-07187-8" target="_blank" >10.1038/s41598-017-07187-8</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Novel electrochemical route to cleaner fuel dimethyl ether

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Novel electrochemical route to cleaner fuel dimethyl ether

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Scientific Reports

ISSN

2045-2322

e-ISSN

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Svazek periodika

7

Číslo periodika v rámci svazku

JUL2017

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

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Kód UT WoS článku

000412759200001

EID výsledku v databázi Scopus

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