Add to ORKGWe show the potential of advanced molecular dynamics techniques to obtain insight into the complex MTO process by thoroughly studying proton mobility and mapping free energy surfaces of reaction steps at high temperature. The applied methodology can be used to unravel any complex zeolitic process at the nanometer scale level
The methanol-to-hydrocarbon process is known to proceed autocatalytically in H-ZSM-5 after an induct...
The rapidly increasing demand of oil-based chemicals calls for the development of new technologies b...
The methylation of hexamethylbenzene with methanol is one of the key reactions in the methanol-to-ol...
We show the potential of advanced molecular dynamics techniques to obtain insight into the complex M...
The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real...
The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real...
Zeolites are the workhorses of today's chemical industry. For decades they have been successfully ap...
Taking the unique advantage of large-scale ReaxFF MD simulation in unravelling varied reaction pathw...
Zeolites are amongst the most widely investigated and topical of inorganic materials. They are wide...
The methylation of arenes is a key step in the production of hydrocarbons from methanol over acidic ...
To optimally design next generation catalysts a thorough understanding of the chemical phenomena at ...
The methylation of arenes is a key step in the production of hydrocarbons from methanol over acidic ...
The interaction between methanol and the Heulandite-type zeolite has been unveiled to give an atomic...
A ReaxFF force field has been extended and used in the present work to simulate methanol to olefin (...
The methanol-to-hydrocarbon process is known to proceed autocatalytically in H-ZSM-5 after an induct...
The methanol-to-hydrocarbon process is known to proceed autocatalytically in H-ZSM-5 after an induct...
The rapidly increasing demand of oil-based chemicals calls for the development of new technologies b...
The methylation of hexamethylbenzene with methanol is one of the key reactions in the methanol-to-ol...
We show the potential of advanced molecular dynamics techniques to obtain insight into the complex M...
The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real...
The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real...
Zeolites are the workhorses of today's chemical industry. For decades they have been successfully ap...
Taking the unique advantage of large-scale ReaxFF MD simulation in unravelling varied reaction pathw...
Zeolites are amongst the most widely investigated and topical of inorganic materials. They are wide...
The methylation of arenes is a key step in the production of hydrocarbons from methanol over acidic ...
To optimally design next generation catalysts a thorough understanding of the chemical phenomena at ...
The methylation of arenes is a key step in the production of hydrocarbons from methanol over acidic ...
The interaction between methanol and the Heulandite-type zeolite has been unveiled to give an atomic...
A ReaxFF force field has been extended and used in the present work to simulate methanol to olefin (...
The methanol-to-hydrocarbon process is known to proceed autocatalytically in H-ZSM-5 after an induct...
The methanol-to-hydrocarbon process is known to proceed autocatalytically in H-ZSM-5 after an induct...
The rapidly increasing demand of oil-based chemicals calls for the development of new technologies b...
The methylation of hexamethylbenzene with methanol is one of the key reactions in the methanol-to-ol...