DOI

Theoretical models for the vibrational state-resolved Zeldovich reaction are assessed by comparison with le results of quasi-classical trajectory (QCT) calculations. An error in the model of Aliat is corrected; the model is generalized taking into account NO vibrational states. The proposed model is fairly simple and can be easily implemented to the software for non equilibrium flow modeling. It provides a good agreement with the QCT rate coefficients in the whole range of temperatures and reagent/product vibrational states. The developed models are tested in simulations of vibrational and chemical relaxation of air mixture behind a shock wave. The importance of accounting for excitated NO vibrational states and accurate prediction of Zeldovich reactions rates is shown.

Original languageEnglish
Article number060010
Number of pages9
JournalAIP Conference Proceedings
Volume1959
DOIs
StatePublished - 2 May 2018
EventInternational Scientific Conference on Mechanics - Eighth Polyakhov's Reading: 8th Polyakhov's Reading - Старый Петергоф, Saint Petersburg, Russian Federation
Duration: 29 Jan 20182 Feb 2018
Conference number: 8
https://events.spbu.ru/events/polyakhov_readings
http://nanomat.spbu.ru/en/node/175
http://nanomat.spbu.ru/ru/node/192
http://spbu.ru/news-events/calendar/viii-polyahovskie-chteniya

    Research areas

  • POTENTIAL-ENERGY SURFACES, QUASI-CLASSICAL CALCULATIONS, THERMAL RATE CONSTANTS, DISSOCIATION-RECOMBINATION, BOUNDARY-LAYER, STATE, RELAXATION, FLOWS, KINETICS

ID: 36751666