ELFT HÍRADÓ

[Janos Asboth <asboth.janos AT wigner.mta.hu>]

*WIGNER SZFI Seminar*
Propylene production via the dehydrogenation of propane and the
hydrogenation of propyne: the origin of activity and selectivity

*Haiping Lin *
Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University,
Jiangsu, China (host: Palotás Krisztián)

Friday, 2 August 2019 10:00, KFKI Campus, Bldg. 1, 2nd floor, Conference
Room

Producing propylene from abundant and cheap propane via catalytic
dehydrogenation has been considered as a profitable strategy to close the
growing “propylene gap” and has thus attracted extensive research
interests. The prevalent commercial catalysts are the Pt and Cr based
alloys. The desire of new catalysts, however, is driven by the current
drawbacks of low propane conversion, poor propylene selectivity and fast
deactivation of Pt and Cr based catalysts. With density functional theory
(DFT) calculations, we show that the construction of “confined” active
sites surrounded by “H diffusion channels” is the key for the designing of
new catalysts for the semi-dehydrogenation of propane. The
semi-hydrogenation of propyne to propylene is also an important industrial
reaction. With DFT calculations, we demonstrate that the successful
catalysts in this reaction should exhibit the moderate binding energies of
propylene. In particular, the single metal atoms are outstanding candidates
for catalyzing the semi-hydrogenation of propyne.

Everyone is welcome to attend.

János Asbóth
szfi-seminar AT wigner.mta.hu