Investigating the Interaction between Methanol and the Heulandite-type Zeolite using First Principle Molecular Dynamic

The interaction between methanol and the Heulandite-type zeolite has been unveiled to give an atomic scale detail regarding the catalytic activity of this zeolite for methanol conversion. The study was carried out by first principle molecular dynamics to get an insight into the structure and electro...

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Bibliographic Details
Main Authors: Wulandhani, Fiska Dewi (Author), Pambudi, Fajar Inggit (Author)
Format: EJournal Article
Published: Department of Chemical Engineering - Diponegoro University, 2022-09-30.
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