Dissociation and internal excitation of molecular nitrogen due to N2-N collisions using direct molecular simulation
Author(s) -
Maninder S. Grover,
Narendra Singh,
Thomas E. Schwartzentruber,
Richard L. Jaffe
Publication year - 2017
Publication title -
54th aiaa aerospace sciences meeting
Language(s) - English
Resource type - Conference proceedings
DOI - 10.2514/6.2017-0660
Subject(s) - dissociation (chemistry) , excitation , atomic physics , vibrational temperature , internal energy , chemistry , ab initio , molecule , potential energy , molecular physics , excited state , physics , thermodynamics , quantum mechanics , organic chemistry
populated as the system evolves. It is found that the non-equilibrium dissociation rate coe cients for the N + N2 process are larger than those for the N2 + N2 process. This is attributed to the non-equilibrium vibrational energy distributions for the N + N2 process being less depleted than that for the N2 +N2 process. For an isothermal simulation we find that the probability of dissociation goes as 1/Ttr for molecules with internal energy (✏int) less than ⇠ 9.9eV , while for molecules with ✏int > 9.9eV the dissociation probability was weakly dependent on translational temperature of the system. We compared non-equilibrium
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