화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.16, 6714-6724, 1998
Three-body collision contributions to recombination and collision-induced dissociation. II. Kinetics
Detailed rate constants for the reaction Ne+Ne+H reversible arrow Ne2SH are generated, and the master equations governing collision-induced dissociation (CID) and recombination are accurately solved numerically. The temperature and pressure dependence are explored. At all pressures, three-body (3B) collisions dominate. The sequential two-body energy transfer (ET) mechanism gives a rate that is more than a factor of two too small at low pressures and orders of magnitude too small at high pressures. Simpler models are explored; to describe the kinetics they must include direct 3B rates connecting the continuum to the bound states and to the quasibound states. The relevance of the present reaction to more general CID/recombination reactions is discussed. For atomic fragments, the 3B mechanism usually dominates. For diatomic fragments, the 3B and ET mechanism are competitive, and for polyatomic fragments the ET mechanism usually dominates.