Open AccessInfluences of isotopic variant and collision energy on the stereodynamics of the N(4S)+H2 reactive system
Author(s) -
Wei Xia,
Yi Yu,
Yang Chuang-Lu
Publication year - 2012
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.61.223401
Subject(s) - collision , atomic physics , physics , kinetic isotope effect , range (aeronautics) , intermolecular force , isotope , potential energy surface , trajectory , chemistry , deuterium , nuclear physics , materials science , molecule , quantum mechanics , computer security , computer science , composite material
The influences of isotopic variant and collision energy on the stereodynamics in the N(4S)+H2 reaction are investigated by using the quasi-classical trajectory method on the calculated DMBE potential energy surface. The angular distributions of P(r), P(r) and P(r, r), which reflect the vector correlation of k-j' and k-k'-j', differential cross sections,integral cross sections are calculated and discussed in detail. Moreover,the influences of collision energy variant in a collision energy range of 25-80~kcal/mol in the three reactions N+H2,N+D2 and N+T2 are also studied The results indicate that the stereodynamic properties of the reactions are influenced by intermolecular isotope and collision energies.