Atomic and Molecular Reaction Dynamic for UO2 (X3∑u+)
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Abstract
The aloud and molecular reaction dynamics for O(X3Pg)+UO(0, 0) and U(X5Lu)+O2(0, 0) have been studied on the potential energy function of UO2(X3∑u+) by Monte-Carlo quasi-classical trajectory approach. It is shown that the reaction O(X3Pg) +UO(0, 0)→ UO2(X3∑u+) and U(X5Lu)→+O2(0, 0)→UO(V', J')+O (X5Pg) all have no threshold energy. The mechanisms of formation a long-lived lutermediate is also discussed according to potential surface and their reactive trajectory.
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