Document Detail

Evaporation of Urea at Atmospheric Pressure.
MedLine Citation:
PMID:  21381736     Owner:  NLM     Status:  Publisher    
Aqueous urea solution is widely used as reducing agent in the selective catalytic reduction of NO(x) (SCR). Because reports of urea vapor at atmospheric pressure are rare, gaseous urea is usually neglected in computational models used for designing SCR systems. In this study, urea evaporation was investigated under flow reactor conditions, and a Fourier transform infrared (FTIR) spectrum of gaseous urea was recorded at atmospheric pressure for the first time. The spectrum was compared to literature data under vacuum conditions and with theoretical spectra of monomolecular and dimeric urea in the gas phase calculated with the density functional theory (DFT) method. Comparison of the spectra indicates that urea vapor is in the monomolecular form at atmospheric pressure. The measured vapor pressure of urea agrees with the thermodynamic data obtained under vacuum reported in the literature. Our results indicate that considering gaseous urea will improve the computational modeling of urea SCR systems.
Andreas M Bernhard; Izabela Czekaj; Martin Elsener; Alexander Wokaun; Oliver Kröcher
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-3-7
Journal Detail:
Title:  The journal of physical chemistry. A     Volume:  -     ISSN:  1520-5215     ISO Abbreviation:  -     Publication Date:  2011 Mar 
Date Detail:
Created Date:  2011-3-8     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9890903     Medline TA:  J Phys Chem A     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Paul Scherrer Institute , 5232 Villigen PSI, Switzerland.
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