Abstract:<p>Co-feeding H<sub>2</sub> at high
pressures increases zeolite catalyst lifetimes during methanol-to-olefin (MTO)
reactions while maintaining high alkene-to-alkane ratios; however, the
mechanisms and species hydrogenated by H<sub>2</sub> co-feeds to
prevent catalyst deactivation remain unknown. This study uses periodic density
functional theory (DFT) to examine hydrogenation mechanisms of MTO product C<sub>2</sub>–C<sub>4</sub> alkenes, as
well as species … Show more
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