By Guy B. Marin
Advances in Chemical Engineering was once demonstrated in 1960 and is the definitive serial within the sector. it's one in every of nice value to natural chemists, polymer chemists, and plenty of organic scientists. Written through validated gurus within the box, the great reports mix descriptive chemistry and mechanistic perception and yield an knowing of ways the chemistry drives the homes. This quantity covers the subject of catalysis and kinetics and elements in chemical engineering.
- Control and optimization of procedure systems
- Propane dehydrogenation and selective oxidation of hydrogen
- Chromium catalysts for ethylene polymerization and oligomerization
- Computational simulation of infrequent Earth catalysis
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Extra info for Catalysis and Kinetics: Molecular Level Considerations
15e, we can expect that the newly formed CO2 actually donates partial electrons to the surface, that is, redox process occurs during CO2 complex formation at CeO2(110). This is indeed consistent with the DOS result that one new occupied 4f state was determined in the gap. 10 Calculated DOS of CeO2(110) surfaces with adsorbed (A) CO2 complex (IM1) and carbonate in (B) BC1 and (C) BC2 configurations. The spin-up and spin-down states are plotted by red and blue lines, respectively, and the occupied states are filed in yellow.
Copyright (2011) Elsevier. 7F refers to the case of coadsorption of two O2 molecules, and the number in parentheses corresponds to the average adsorption energy per O2 molecule. , 2011) and d(Au3) is the calculated Bader charge of the trimer (relative to that of the gas-phase one). d[O–O] is the interatomic distance of adsorbed O2. d[O–Ce] is the average Ce–O distance of the O2 with the Ce. Reprint with permission from Zhu et al. (2011). Copyright (2011) Elsevier. 69 eV with respect to the most stable Au3/CeO2(110) slab (Fig.
It needs to be mentioned that, within the Mars–van Krevelen-type catalytic cycle, the elementary steps of CO oxidation by lattice oxygen may still follow a Langmuir–Hinshelwood or Eley–Rideal mechanism. In the Langmuir–Hinshelwood mechanism, the CO molecule adsorbs first on the ceria surface before undergoing the oxidation, whereas in the Eley– Rideal mechanism, the CO molecule attacks directly the surface oxygen from the gas phase. As we have already mentioned when we discussed Computational Rare Earth Catalysis 29 the adsorption of CO at CeO2 surfaces in Section 5, an Eley–Rideal mechanism is highly likely for CO oxidation.