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Catalytic conversion of ethanol to 1,3-butadiene on MgO: A comprehensive mechanism elucidation using DFT calculations manuscript published

01/04/2017 - 13:40
see full article here

This very important paper describes fundamental steps in ethanol transformation into 1,3-butadiene on MgO. William Taifan did an outstanding job in meticulously describing complete potential energy surface for the reaction elucidating rate limiting steps. Toussaint’s aldol condensation mechanism, Fripiat’s Prins mechanism and mechanism based on Ostromislensky’s hemiacetal rearrangement were investigated.This work is in collaboration with our great colleague Tomas Bucko from Comenius University in Bratislava and Slovak Academy of Sciences, Slovakia. Very good job, Will!

ethanol
1 3-butadiene
MgO
sustainable

members of BaltrusaitisLab presented at AIChE 2016 meeting, San Diego, CA

11/15/2016 - 15:31
see the list of presentations here

William Taifan presented on his work on Combined Experimental and Theoretical Study of Ethanol Catalytic Conversion to 1,3-Butadiene on MgO. Dr. B presented on Design and Properties of Supported Tungstate Catalysts for Oxidative Coupling of Methane (OCM) and K2O/WOx/Al2O3 Catalyst Interactions with the Components and Byproducts of Sour Natural Gas.

ethanol
1 3-butadiene

William Taifan and Bin Li present posters at The Catalysis Club of Philadelphia meeting

11/13/2016 - 18:44

William presented on Ethanol to 1,3-butadiene Reaction Mechanism: Combined DFT and Experimental Study, the work performed in collaboration with Tomas Bucko (Comenius University inf Bratislava, Slovak Republic).
Bin presented on Molecular structure of K2O-WO3/Al2O3 catalyst and reactivity towards acidic gases, the work performed in collaboration with Jih-Mirn Jehng and Israel Wachs (Lehigh University).

ethanol
1 3-butadiene