Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over Cu0.1Ce0.9O2−y with Oxygen Supplied as the Gas and from the Catalyst’s Bulk

Cortés, Joaquı́n; Valencia, Eliana; Araya, Paulo

doi:10.1007/s10562-012-0946-6

Cited by 4 publications

(1 citation statement)

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“…To simulate the two-step CO oxidation over a Cu-Ce binary oxide, a more detailed M-v K model containing 9 elementary steps was proposed and simulated with a Monte Carlo algorithm. 260 In this advanced model, all possible oxygen transferring processes, such as from gas phase (O 2 ) to solid phase and from lattice framework to surface of NTM oxides, were considered. The simulation results matched fairly well with the corresponding experimental observations, justifying the validity of these assumptions.…”

Section: Mechanisms Of Catalytic Co Oxidationmentioning

confidence: 99%

Recent advances in heterogeneous selective oxidation catalysis for sustainable chemistry

et al. 2014

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Oxidation catalysis not only plays a crucial role in the current chemical industry for the production of key intermediates such as alcohols, epoxides, aldehydes, ketones and organic acids, but also will contribute to the establishment of novel green and sustainable chemical processes. This review is devoted to dealing with selective oxidation reactions, which are important from the viewpoint of green and sustainable chemistry and still remain challenging. Actually, some well-known highly challenging chemical reactions involve selective oxidation reactions, such as the selective oxidation of methane by oxygen. On the other hand some important oxidation reactions, such as the aerobic oxidation of alcohols in the liquid phase and the preferential oxidation of carbon monoxide in hydrogen, have attracted much attention in recent years because of their high significance in green or energy chemistry. This article summarizes recent advances in the development of new catalytic materials or novel catalytic systems for these challenging oxidation reactions. A deep scientific understanding of the mechanisms, active species and active structures for these systems are also discussed. Furthermore, connections among these distinct catalytic oxidation systems are highlighted, to gain insight for the breakthrough in rational design of efficient catalytic systems for challenging oxidation reactions.

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Section: Mechanisms Of Catalytic Co Oxidationmentioning

confidence: 99%