A computational-experimental investigation on high ethylene selectivity in ethanol dehydration reaction found on WO_x/ZrO₂-activated carbon bi-support systems.

ABSTRACT: The high ethylene selectivity exhibited on the zirconia-activated-carbon bi-support catalyst is investigated by experiment and density functional theory-based (DFT) analysis. This bi-support catalyst systems prepared by the physical mixing method for the tungsten catalyst show a significant increase in ethylene selectivity up to 90% compared to the zirconia single support system (~58%) during the ethanol dehydration reaction. Besides, the optimal percent weight ratio of zirconia to activated carbon, which results in the highest ethanol conversion is 50:50. The DFT-based analysis is used to investigate high ethylene selectivity in the bi-support system. It shows that the WO₅/zirconia is the most stable model for the zirconia single-support tungsten catalyst represented by the zir

SUBMITTER: Rittiruam M 

PROVIDER: S-EPMC6930307 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature