Fritz-Haber-Institut der Max-Planck-Gesellschaft  

Department of Inorganic Chemistry
  

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Director:
Prof. Robert Schlögl
 
Research Groups:
Reactivity
Electronic Structure
Electrochemistry
Electron Microscopy
 
Oxidative Coupling of Methane:
  Statistical analysis of past catalytic data on oxidative methane coupling for new insights in the composition of high-performance catalysts

Ulyana Zavyalova, Martin Holena, Robert Schlögl, Manfred Baerns

A database consisting of 1870 data combinations 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 necessary information, were selected for the data extraction. The accumulated data were subject to statistical analysis: analysis of variance, correlation analysis, and decision tree. Based on the results, 18 catalytic key elements were selected from originally 68 ones. All oxides of the selected elements, which positively affect selectivity to C2 products, show strong basicity. Analysis of binary and ternary interactions between the selected key elements shows that high performance catalysts are based mainly on Mg and La oxides. Alkali (Cs, Na) and alkaline-earths (Sr, Ba) metals used as dopants increase selectivity of the host oxides, whereas dopants such as Mn, W, and Cl-anion have positive effects on catalyst activity. The maximal C2 selectivities for the proposed catalyst compositions range from 72% to 82% and respective C2 yields from 16% to 26%.







Statistical analysis of past catalytic data on oxidative methane coupling for new insights in the composition of high-performance catalysts
(PDF – 1,3 MB) ... ››

Past catalytic performance data on oxidative coupling of methane
(XLS – 1,2 MB) ... ››
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