Open AccessComparison of nonequilibrium dissociation models in the direct simulation Monte Carlo method
Author(s) -
A. Ye. Galeyev,
A. V. Kashkovsky,
A. A. Shevyrin,
Ye. A. Bondar
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1404/1/012107
Subject(s) - dissociation (chemistry) , non equilibrium thermodynamics , monte carlo method , shock wave , direct simulation monte carlo , reaction rate , quantum monte carlo , statistical physics , thermodynamics , chemistry , physics , dynamic monte carlo method , biochemistry , statistics , mathematics , catalysis
Various chemical dissociation reactions models (Total collision energy model – TCE, Quantum Kinetic model – QK and Extended vibrational bias model – EVB) were implemented in the direct simulation Monte Carlo code SMILE++. It was shown that the dissociation models considered predict the same reaction rate over a wide range of temperatures in thermal equilibrium case. The analysis for the nonequilibrium case was carried out on the basis of dissociating nitrogen gas flow modelling around the wedge for the Hornung and Smith experiments conditions. All dissociation models proposed predict various results both in the standoff distance of the bow shock wave and in the temperature values behind it. It was generally shown, that taking into account the vibrational favoring (during dissociation) results in decreasing the reaction rate, which can be manifested in increasing the shock wave standoff distance.