Document Detail

Sulfuric acid as auto-catalyst in the formation of sulfuric acid.
MedLine Citation:
PMID:  23198746     Owner:  NLM     Status:  Publisher    
Sulfuric acid can act as a catalyst of its own formation. We have carried out a computational investigation on the gas phase formation of H2SO4 by hydrolysis of SO3 involving one and two water molecules, and also in the presence of sulfuric acid and its complexes with one and two water molecules. The hydrolysis of SO3 requires the concurrence of two water molecules, one of them acting as a catalyzer, and our results predict an important catalytic effect, ranging between 3 and 11 kcal•mol-1 when substituting the catalytic water molecule by a sulfuric acid molecule or one of its hydrates. In these cases, the reaction products are either bare sulfuric acid dimer or sulfuric acid dimer complexed with a water molecule. There are broad implications from these new findings. The results of the present investigation show that the catalytic effect of sulfuric acid in the SO3 hydrolysis can be important in the Earth's stratosphere, in the heterogeneous formation of sulfuric acid and in the formation of aerosols, in the H2SO4 formation by aircraft engines, and also in understanding the formation of sulfuric acid in the atmosphere of Venus.
Miquel Torrent-Sucarrat; Joseph S Francisco; Josep M Anglada
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-11-30
Journal Detail:
Title:  Journal of the American Chemical Society     Volume:  -     ISSN:  1520-5126     ISO Abbreviation:  J. Am. Chem. Soc.     Publication Date:  2012 Nov 
Date Detail:
Created Date:  2012-12-3     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  7503056     Medline TA:  J Am Chem Soc     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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