Dynamic Properties Of The F+H₂ System

Now days, the system of F+H2 is playing a more and more important role in academic world and daily life, in which including the aspects of the origin and evolution of the universe. We are researching the system more and more deeply with the measures which is getting more accurate. Once upon a time, we researchers just explore the scalar properties, such as the reaction probability, calculus section and heat rate constant, and people start to pay more attention to the nature of the vector. QCT calculations have been carried out to investigate the stereodynamics of the reactions F+H2â†'FH+H and its isotope substitution reactions by us, including the scalar properties and the properties of the vector, and all we have done are based on the potential energy surface(PES) of FH2 ground state.The paper has been departed into five parts: In the first part, we introduce F+H2 system and the development of molecular reaction dynamics; in the second part, we show the theoretical basis and calculation of the research: the selection of potential energy surface, QCT calculation principle, the principle for the alignment and orientation of molecular, and the calculation principle of the stereodynamics; In the third part, we choose some typical collision, and under these collision energy the dynamics properties of the reaction are studied; In the penultimate part, one appropriate collision energy is chosen by us to study the influence to the reaction F+H2â†'FH+H which is made by the vibrational excitation and rotational excitation; In the fifth part, we study the dynamics properties after replaced by its isotopes, we can know about the influence of the quality factor in the molecular dynamics, which has far-reaching significance in the field of molecular dynamics research.