TY - JOUR
T1 - Thermal rate constants of the N(4S)+O2(X 3Σg-)→ NO(X2Π) +O(3P) reaction on the 2A′ potential energy surface
AU - He, Jian Feng
AU - Chen, Feng
AU - Li, Jing
PY - 2006/4/1
Y1 - 2006/4/1
N2 - A quasiclassical trajectory study with the sixth-order explicit symplectic algorithm for the N(4S)+O2(X3Σ g-)→NO (X2Π)+O(3P) reaction has been reported by employing a new ground potential energy surface. We have discussed the influence of the relative translational energy, the vibrational and rotational levels of O2 molecules on the total reaction cross section. Thermal rate constants at temperatures 300, 600, and 1000 K determined in this work for the reaction are 4.4×107, 1.8×10 10, and 3.1×1011 cm3mol -1s-1, respectively. It is found that they are in better agreement with the experimental data than previous theoretical values.
AB - A quasiclassical trajectory study with the sixth-order explicit symplectic algorithm for the N(4S)+O2(X3Σ g-)→NO (X2Π)+O(3P) reaction has been reported by employing a new ground potential energy surface. We have discussed the influence of the relative translational energy, the vibrational and rotational levels of O2 molecules on the total reaction cross section. Thermal rate constants at temperatures 300, 600, and 1000 K determined in this work for the reaction are 4.4×107, 1.8×10 10, and 3.1×1011 cm3mol -1s-1, respectively. It is found that they are in better agreement with the experimental data than previous theoretical values.
UR - http://www.scopus.com/inward/record.url?scp=33645549044&partnerID=8YFLogxK
U2 - 10.1088/0256-307X/23/4/019
DO - 10.1088/0256-307X/23/4/019
M3 - Article
AN - SCOPUS:33645549044
SN - 0256-307X
VL - 23
SP - 828
EP - 831
JO - Chinese Physics Letters
JF - Chinese Physics Letters
IS - 4
ER -