Name: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y: data

Description: The dataset presented is associated with a computational investigation of how a crucial intermediate, dimethyl ether (DME), interacts with different zeolite catalysts (H-ZSM-5, H-Y), in order to gain insight into the initial stages in the MTH process. We use QM/MM computational simulations to model the conversion of methanol to DME in H-ZSM-5, which is a well characterised and important reaction intermediate.

DOI: 10.17035/d.2020.0122278013

Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/122278013

Resository: https://research.cardiff.ac.uk

Start date: 2020-01-01 00:00:00 UTC

End date:

Related Article: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y

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