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Study Of Stereodynamics For The Reaction Of O+HCI Reaction At3eV To7eV Collision Energies

Posted on:2013-03-06Degree:MasterType:Thesis
Country:ChinaCandidate:B LiangFull Text:PDF
GTID:2231330374961034Subject:Atomic and Molecular Physics
Abstract/Summary:PDF Full Text Request
The main content of this paper is to study chemical reactions O+HCl--OH+Cl3eV to7eV ofcollision energy, kinetic characteristics, including scalar nature and vector nature.We selected3eV4eV,5eV,6eV and7eV five collision energy points to careful study the change ofscalar nature and vector nature with the collision energy changes, and compared with Camden’s and others’results. We also studied the the5eV collision energy, the nature of the scalar and vector nature of thereaction with the change in the initial rotational quantum number j changes.The conclusion is that with increasing collision energy, the changes in the reaction probability valuesare not strong, but declined slightly from0.13to0.11. It can also reflect the energy range of3eV to7eV,there is no reaction can value. With the increase of collision energy, bmaxhas a growing trend. This trendreflects the collision energy between the reactant molecules, the relative speed of the increase in thereaction, the reaction collision occurred in the larger impact angle. In the vector nature of the productmolecules are forward scattering, and with the collision energy increases, the extent of the forwardscattering increased significantly, monotonically increasing trend. This phenomenon can explain thebystander model well. As the collision energy increases, the product of the molecular rotational angularmomentum along the vertical Z-axis direction of the orientation degree is weakening. At the range of0degrees to180degrees, the product of molecular distribution probability decreases, at the range of180degrees to360degrees, the product of molecular distribution of the probability increases. Illustrate themore the product of the molecular rotational angular momentum orientation from the point to the Y-axispositive direction to point to the Y-axis negative direction. In the5eV collision energy, with increasingrotational quantum number, the reaction cross section increased, indicating that rotational excitationenhanced with the reactants, the reaction is more likely to occur. In the vector nature of the productmolecules are strongly ago to scattering. As the collision energy increases, the product rotational angularmomentum along the perpendicular to the Z-axis orientation degree of weakened; with the rotationalquantum number increases, the peak of the peak in the smaller, varied from0.7to a little over0.6, peak andthe trough between the highest peaks is gradually smoothed. The description of the product rotationalangular momentum orientation is not only decreases with the increase of collision energy and decreaseswith the increase of the rotational quantum number. Of P (φr) shows a very different distribution with alow-energy situation, which is at the novelty of our results. Completely different with the peak at90°and270°, P (φr), there were two deep valleys. The interpretation of this phenomenon is that the reaction ofcollisions is very high collision energy, and this produced a lower collision energy under different reactionresults. This may be the result of the product rotational angular momentum depends more on the orbitalangular momentum of the reactants.
Keywords/Search Tags:Quasiclassical trajectory method, reaction cross sections, vector correlations
PDF Full Text Request
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