A Quantitative Multi-Scale Perspective on Primary Olefin Formation from Methanol

Toyin Omojola, Andrew J Logsdail, Andre C. van Veen, Stefan Adrian F. Nastase

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


The formation of the first C-C bond and primary olefins from methanol over zeolite and zeotype catalysts has been studied for over 40 years. In this perspective, we decouple the adsorption, desorption, mobility, and surface reactions of early species through a combination of vacuum and sub-vacuum reactor studies; the results are supplemented with density functional theory calculations and atmospheric fixed bed reactor studies and consolidated with data-driven physical models using partial differential equations that describe the temporal and spatial evolution of species. New molecular-level insights and macroscale understanding of the formation of the first C-C bond and primary olefins are revealed through this multi-scale quantitative perspective.
Original languageEnglish (US)
JournalPhysical Chemistry Chemical Physics
StatePublished - Aug 18 2021

Bibliographical note

KAUST Repository Item: Exported on 2021-08-25
Acknowledgements: Toyin Omojola acknowledges financial support from the Petroleum Technology Development Fund (PTDF/ED/PHD/OO/766/15) for his PhD work conducted at the University of Bath and the University of Warwick and is grateful to the Royal Society of Chemistry, Society of
Chemical Industry, Armourers and Brasiers Gauntlet Trust, University of Warwick, and the Alumni Travel Fund of the University of Bath for additional financial support. Stefan Adrian F. Nastase wishes to thank the School of Chemistry, Cardiff University for a PhD studentship. Andrew J. Logsdail acknowledges funding by the UKRI Future Leaders Fellowship program (MR/T018372/1). We are grateful to Dr. Dmitry Lukyanov and Professor Richard Catlow for fruitful scientific discussions.

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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