We determined the heat released in the condensing flow of a CH3 CH2 OD/ D2 O /carrier gas mixture (EtOD/ D2 O for brevity) through a supersonic Laval nozzle by integrating the equations for supersonic flow with condensation, using the static pressure, temperature, and mole fractions of EtOD and D2 O monomers [S. Tanimura, B. E. Wyslouzil, M. S. Zahniser, J. Chem. Phys. 127, 034305 (2007)] as inputs. by considering the depletion of the monomer species, the deviation of the pressure from the isentropic value, and the heat released, we estimated that ∼10% of the EtOD molecules are present as pure clusters (dimer to tetramer) upstream of the onset point of condensation. In contrast, clustering was not detected when only pure EtOD was present under the same conditions (temperature and the partial pressure of EtOD) for which clustering was observed in the EtOD/ D 2 O flow. This suggests that the formation of EtOD clusters is facilitated by D2 O in the EtOD/ D2 O flow. A comparison of the heat released to the flow and the expected heat of dissociation of the EtOD/ D2 O droplets suggests that small EtOD clusters persist downstream of the onset point. Both upstream and downstream of the onset point of condensation, the concentration of these clusters in the nozzle is higher than that expected at equilibrium. A possible mechanism for the overabundance of pure EtOD clusters is that they form in the mixed EtOD/ D2 O particles (droplets or clusters) and evaporate from them.




American Chemical Society
National Science Foundation (U.S.)
Petroleum Research Fund

Keywords and Phrases

Chemically Reactive Flow; Deuterium Compounds; Heat Transfer; Molecular Clusters; Supersonic Flow

Library of Congress Subject Headings

Organic compounds

Document Type

Article - Journal

Document Version

Final Version

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