One of the principal air pollutants is sulfur dioxide (SO2). The removal of SO2 from flue gas has been one of the key challenges in the control of SO2 emission. In this work, experimental scale photocatalytic oxidation of SO2 is a major process leading to H2SO4 as a new method was suggested on the Liquid ph...

Cobalt chromite (CoCr2O4) with normal spinel structure, shows catalytic activity for oxidation of unburned methane in the natural gas vehilcles (NGV). In this study, CoCr2O4 nanoparticles were synthesized through a conventional co-precipitation technique and investigated for the catalytic combustion of methane. Cobalt nitrate hexahydrate,...

Pd(OAc)(2) in DMSO is an effective catalyst for the aerobic oxidation of alcohols and numerous other organic substrates. Kinetic studies of the catalytic oxidation of primary and secondary benzylic alcohol substrates provide fundamental insights into the catalytic mechanism. In contrast to the conclusion reached in our earlier study (J. Am. Chem. Soc. 2002, 124, 766-767), we find that Pd(II)-me...

A catalytic redox reaction involving N2O and CO on size-selected copper cluster anions, Cun(-), was investigated in the gas phase using a guided ion-beam tandem mass spectrometer. When Cun(-) is exposed to a mixture of N2O and CO, CunO(-) is produced via the decomposition of N2O. Increase of the CO partial pressure results in the reproduction of Cun(-) and decrease of CunO(-) through the oxidat...

Density functional theory calculations on oxygen adsorption over gas phase and faujasite supported Au monomer has been studied using hybrid quantum mechanics∕molecular mechanics method, surface integrated molecular orbital molecular mechanics implemented in GAMESS package. Three different oxidation states of Au (0, +1, +3) and three different adsorption modes viz., top, bridge, and dissociative...

The mechanisms of formic acid (HCOOH) oxidation on Au(111) under gas-phase and electrochemical conditions was studied by using density functional theory and then compared with the analogous processes on Pt(111). Our results demonstrate that a mechanism involving a single intermediate molecule is preferred on both Au and Pt(111). Furthermore, under gas-phase conditions, HCOOH oxidation proceeds ...

AWract-A reaction-transport model that combines gas-phase reactions mcurting within interstitial and intrapellet voids with surface reactions occurring on catalytic sites was used to descritm the oxidative coupling or methane in packed-bed reactors, a typical example or bimodal (h~ogeneous-heterogeneous) reactjon systcma. A kinetic model for gas-phase reactions was a-bled from available literat...

Using a kinetic Monte Carlo (KMC) approach with parameters derived from first-principles calculations, we modeled the steady-state of CO oxidation on Pd(111), a prototypical catalytic system with various practical applications, including the treatment of automotive gas exhausts. Focusing on the metallic phase of the catalyst, we studied how the rate of CO oxidation depends on temperature and pr...