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Statistical Analysis of Past Catalytic Data on Oxidative Methane Coupling for New Insights into the Composition of High‐Performance Catalysts
Author(s) -
Zavyalova Ulyana,
Holena Martin,
Schlögl Robert,
Baerns Manfred
Publication year - 2011
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201100186
Subject(s) - catalysis , oxidative coupling of methane , ternary operation , selectivity , dopant , chemistry , alkaline earth metal , methane , alkali metal , inorganic chemistry , metal , materials science , doping , organic chemistry , computer science , optoelectronics , programming language
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 C 2 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 alkaline‐earth (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 C 2 selectivities for the proposed catalyst compositions range from 72 to 82 %, and the respective C 2 yields range from 16 to 26 %.