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Updated: Jun 17, 2026

High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy
Published on: October 9, 2020
Pressure and temperature dependence of ethyl nitrate formation in the C(2)H(5)O(2) + NO reaction
Nadezhda Butkovskaya1, Alexandre Kukui, Georges Le Bras
1Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), CNRS-INSIS, 1C Av. de la Recherche Scientifique, 45071 Orléans Cedex 2, France. bout@cnrs-orleans.fr
Abstract:
The branching ratio beta = k(1b)/k(1a) for the formation of ethyl nitrate, C(2)H(5)ONO(2), in the gas-phase C(2)H(5)O(2) + NO reaction, C(2)H(5)O(2) + NO --> C(2)H(5)O + NO(2) (1a), C(2)H(5)O(2) + NO --> C(2)H(5)ONO(2) (1b), was determined over the pressure and temperature ranges 100-600 Torr and 223-298 K, respectively, using a turbulent flow reactor coupled with a chemical ionization mass spectrometer. At 298 K the C(2)H(5)ONO(2) yield was found to increase linearly with pressure from about 0.7% at 100 Torr to about 3% at 600 Torr. At each pressure, the branching ratio of C(2)H(5)ONO(2) formation increases with the decrease of temperature. The following parametrization equation has been derived in the pressure and temperature ranges of the study: beta(P,T) (%) = (3.88 x 10(-3).P (Torr) + 0.365).(1 + 1500(1/T - 1/298)). The atmospheric implication of the results obtained is briefly discussed, in particular the impact of beta on the evolution of ethyl nitrate in urban plumes.
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