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

Abstract

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
DOIs
StatePublished - Aug 18 2021

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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