A quasiclassical trajectory study of the collisional dissociation of H2 by H atoms

✍ Scribed by John E. Dove; Margot E. Mandy

• Publisher: John Wiley and Sons
• Year: 1986
• Tongue: English
• Weight: 766 KB
• Volume: 18
• Category: Article
• ISSN: 0538-8066
• DOI: 10.1002/kin.550180909

✦ Synopsis

The collision induced dissociation of H, by H atoms was studied by quasiclassical trajectories using the Liu-Siegbahn-Truhlar-Horowitz potential energy surface. Dissociation cross sections were obtained for five highly internally excited initial states of H, for translational energies up to 100 kcal mol-'. Rate constants for dissociation out of these states were calculated for temperatures of 1000 to 10,000 K. Initial internal energy strongly enhances the probability of collisional dissociation, vibrational energy being more effective than rotational. The results are compared to those from a similar study of the H,-He system, and are discussed in relation to the respective potential energy surfaces. The implications for the kinetics of thermal dissociation are also considered.