作者: Marco Panesi , Richard L. Jaffe , David W. Schwenke , Thierry E. Magin
DOI: 10.1063/1.4774412
关键词: Ab initio 、 Dissociation (chemistry) 、 Chemistry 、 Atomic physics 、 Reaction rate 、 Internal energy 、 Isochoric process 、 Isothermal process 、 Master equation 、 Rotational–vibrational spectroscopy 、 Physical and Theoretical Chemistry 、 General Physics and Astronomy
摘要: A rovibrational collisional model is developed to study energy transfer and dissociation of N2(1Σg+) molecules interacting with N(4Su) atoms in an ideal isochoric isothermal chemical reactor. The system examined a mixture molecular nitrogen small amount atomic nitrogen. This mixture, initially at room temperature, heated by several thousands degrees Kelvin, driving the toward strong non-equilibrium condition. evolution population densities each individual level explicitly determined via numerical solution master equation for temperatures ranging from 5000 50 000 K. reaction rate coefficients are taken ab initio database NASA Ames Research Center. macroscopic relaxation times, rates, extracted equation. computed rotational-translational (RT) vibrational-translational (VT) times different l...