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Dynamics Study Of The Reactions Of H-+H2 And Its Isotopic Variants

Posted on:2009-10-08Degree:MasterType:Thesis
Country:ChinaCandidate:W L LiFull Text:PDF
GTID:2121360245962803Subject:Atomic and molecular physics
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Being a typical and a very simple ion-molecule reaction, it is considered to be the prototype system to test the quality of the new theories and experiments. And the extensive studies can help us to study the other complex ion-molecule reactions. Besides, H-+H2 and its isotopic reactions are of interest in understanding the collision processes in interstellar media, the plasma, and high-energy physic studies. We have studied the scalar properties and vector properties of the reactions of H-+H2 and its isotopic variants using the QCT theory.The values of the reactive cross sections of the reaction H-+D2 (v =0, j =0) and D-+H2 (v =0, j =0) are overall agreement with the that of Yao's. The reactive cross sections and the product branching ratios of the reactions H(D)-+HD(v =0, j =1-4) are studied. The results of the reaction H(D)-+HD (v =0, j =1-4) indicate that the cross sections decrease with the increase of the rotation quantum before Et rans=1.6(1.8)eV. When the collision energy is bigger than 1.6(1.8)eV, the results become irregular. We ascribe this to the long range interaction in the system of H3-. The product branching ratio of the reaction H(D)-+HD (v =0, j =1-4) is nearly one when the collision energy is in the higher energy range. As for the system of H3- , the extra electron in H3- is located far away from the three nuclei and hence does not really affect the scalar properties of the system. However, the extra electron affects enormously the vector properties of the system. The stereo-dynamics of the reactions of H-+D2 (v =0, j =0) and D-+H2 (v =0, j =0) reveal a obvious isotopic effect, which is consist with the experiment results .Besides, the concept of the'differential cross section (DCS) degree'is proposed by the author. The theory of the product rotation polarization is applied to the study of the stereo-dynamics of the axis of the molecules, which enriches the theory of the stereo-dynamics.
Keywords/Search Tags:Quasi-classical trajectory method, integral cross section, product branching ratio, stereo-dynamics, vector correlations
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