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Statistical Analysis of Past Catalytic Data on Oxidative Methane Coupling for New Insights into the Composition of High-Performance Catalysts

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Zavyalova,  Ulyana
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Schlögl,  Robert
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Baerns,  Manfred
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Citation

Zavyalova, U., Holena, M., Schlögl, R., & Baerns, M. (2011). Statistical Analysis of Past Catalytic Data on Oxidative Methane Coupling for New Insights into the Composition of High-Performance Catalysts. ChemCatChem: heterogeneous & homogeneous & bio-catalysis, 3(12), 1935-1947. doi:10.1002/cctc.201100186.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0012-301F-8
Abstract
A database consisting of 1870 data sets on catalyst compositions
and their performances in the oxidative coupling of
methane was compiled. For this goal, about 1000 full-text references
from the last 30 years have been analyzed and about
420 of them, which contained all the necessary information,
were selected for the data extraction. The accumulated data
were subject to statistical analysis: analysis of variance, correlation
analysis, and decision tree. On the basis of the results, 18
catalytic key elements were selected from originally 68 elements.
All oxides of the selected elements, which positively
affect the selectivity to C2 products, show strong basicity. Analysis
of binary and ternary interactions between the selected
key elements shows that high-performance catalysts are
mainly based on Mg and La oxides. Alkali (Cs, Na) and alkalineearth
(Sr, Ba) metals used as dopants increase the selectivity of
the host oxides, whereas dopants such as Mn, W, and the Cl
anion have positive effects on the catalyst activity. The maximal
C2 selectivities for the proposed catalyst compositions
range from 72 to 82%, and the respective C2 yields range from
16 to 26%.