Mohammad Ghashghaee

[ 1 ] - Promoting effects of calcium on the performance of Cu-MgO catalyst in hydrogenation of furfuraldehyde

In the present study, the effects of calcium doping on the performance of the co-precipitated Cu-MgO catalysts prepared with different calcium loadings in the selective hydrogenation of furfuraldehyde were investigated. The results proved that the addition of this promoter had a remarkable impact on the catalytic performance. The conversion of furfuraldehyde enhanced up to 83% and the furfuryl ...

[ 2 ] - Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study

The governing mechanism of surface reactions is a fundamental concern in heterogeneous catalysis. The Langmuir–Hinshelwood (LH) mechanism is widely accepted to control the surface reactions in many catalytic systems. This contribution derives and compares several important surface rate equations to evaluate their quality of fitting to the experimental data collected for a vapor-phase hydrogenat...

[ 3 ] - Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers

A superhydrophobic aluminum surface was fabricated through an enhanced low-cost approach and the effects of several relevant factors on static contact angle and sliding angle were investigated. First, the operating parameters including the etching time as well as the reaction time and temperature were varied. Next, the so-called chemical factors including three different fatty acids and five di...

[ 4 ] - Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study

Consecutive adsorption of ethylene molecules on different nanoclusters as representatives of the active sites of NiMCM-41 catalyst was investigated with respect to structural, topological, and energetic properties at the B3LYP/6-311+G* and M06/Def2-TZVP levels of theory. The dimeric adsorption of the ethylene molecules was found to be exothermic on all sites (adsorption enthalpies ranging from ...

[ 5 ] - Promoting effects of calcium on the performance of Cu-MgO catalyst in hydrogenation of furfuraldehyde

In the present study, the effects of calcium doping on the performance of the co-precipitated Cu-MgO catalysts prepared with different calcium loadings in the selective hydrogenation of furfuraldehyde were investigated. The results proved that the addition of this promoter had a remarkable impact on the catalytic performance. The conversion of furfuraldehyde enhanced up to 83% and the furfuryl ...

[ 6 ] - Protonation of Propene on Silica-Grafted Hydroxylated Molybdenum and Tungsten Oxide Metathesis Catalysts: A DFT Study

Theoretical assessment of the protonation reaction in the activation of propene on hydroxylated Mo(VI) and W(VI) metathesis catalysts is presented in this paper using the density functional theory calculations and five support clusters varying from simple SiO4H3 clusters to a large Si4O13H9 cluster. The bond distances and thermochemical...