Descriptor-Based Microkinetic Modeling and Catalyst Screening for CO Hydrogenation

Mechanistic and microkinetic analysis of CO2 hydrogenation on ceria.

We use density functional theory (DFT) calculations to investigate the mechanism of CO2 hydrogenation to methanol on a reduced ceria (110) catalyst, which has previously been shown to activate CO2. Two reaction channels to methanol are identified: (1) COOH pathway via a carboxyl intermediate and (2) HCOO pathway via a formate intermediate. While formaldehyde (H2CO) appears to be the key interme...

Low temperature methanol synthesis from CO hydrogenation over Cu-based catalyst

A b as well as methanol selectivity (~90%) were achieved with a mass space velocity of 2700 L/h.kg-cat. at 433 K and 5.0 MPa via ethyl formate in slurry phase. This study investigated the influences of co-precipitation PH value of copper magnesium catalyst, types of alkali compounds as carbonylation promoters and impregnation agents, alcohol solvent on the reaction performances. It was also fou...

Effect of Calcination Rate on Performance of Co-precipitated Cu-MgO Catalyst in Hydrogenation of Furfural

Co-precipitated Cu-MgO catalysts were prepared and evaluated for the gas-phase hydrogenation of furfural. The effect of heating rate at the calcination step was studied by comparing the performance of three catalysts prepared via the same procedure but calcined at different heating rates. The results established that altering the heating rate could influence the structural properties of the cat...

Pilot scale study of Co-Fe-Ni nanocatalyst for CO hydrogenation in Fischer-Tropsch synthesis

In this work, a Co-Fe-Ni catalyst was prepared and the effect of a range of operational variables such as gas hourly space velocity (GHSV), calcination temperature, calcination time and agent on its catalytic performance for green-fuels production was investigated. By application of different characterization techniques such as XRD, BET, TGA/DSC, and SEM, it was found that these parameters have...

Catalyst Development for Selective Hydrogenation of Functionalized Alkynes and Nitroarenes