The unprecedented catalytic activity of alkanolamine CO2 scrubbers in the cycloaddition of CO2 and oxiranes: a DFT endorsed study.

Impact of Lewis acid catalyst on the regioselectivity and kinetics of 1,3-dipolar cycloaddition reaction of azidobenzene with acrolein: a theoretical study using DFT

In the present work, impact of Lewis acid (LA) catalysts BF3, BCl3, and BBr3 on the kinetics andregioselectivity of 1,3-dipolar cycloaddition (1,3-DC) reaction between azidobenzene and acroleinwas theoretically studied using B3LYP/6-31G* level. Our results indicate while the uncatalyzed 1,3-DC reaction under investigation takes place via a non-polar, non-regioselective, and lowasynchronous proc...

Effect of K2O on the catalytic performance of Ni catalysts supported on nanocrystalline Al2O3 in CO2 reforming of methane

CO2 reforming of methane (CRM) over unpromoted and potassium promoted Ni/Al2O3 catalysts was studied. The catalysts were prepared by impregnation method and characterized by X-ray diffraction (XRD), N2 adsorption (BET), temperature programmed reduction (TPR), temperature programmed oxidation (TPO) and scanning electron microscope (SEM) techniques. The obtained results showed that addition of K2...

A computational investigation on the structural features of alkanolamine solvents for CO2 capture process from power plant flue gas

Application of GMA Equation of State to Study Thermodynamic Properties of 2-Amino-2-methyl-1-propanol as an Efficient Absorbent for CO2

Alkanolamine solutions such as 2-amino-2-methyl-1-propanol (AMP) are widely used in chemical industries for the removal of acid gases such as CO2 and H2S. In this work, the density of CO2, AMP, water, and AMP solutions using the Goharshadi–Morsali–Abbaspour Equation of State “GMA EoS” in the extended 50-degree range of temperatures (313.06-362.65 K) and pressures (0.5-40 MPa) was calculated. Th...

Preparation of Gd2O3 nanoparticles from a new precursor and their catalytic activity for electrochemical reduction of CO2 to CO

The mononuclear Gd(III) complex, [Gd(L)3(H2O)5] (where L is alizarin yellow R (NaC13H8N3O5)), has been prepared in H2O under reflux condition. The Gd(III) complex has been characterized by elemental analysis and spectroscopic methods (UV–Vis and FT–IR). The Gd2O3 nanoparticles were prepared by the calcination of the Gd(III) complex in air at different temperatures up to 600 °C for 2 h. The calc...