基于12A′基态势能面的H + DBr (v = 0, j = 0)反应几率的理论研究
Theoretical Study of the Probabilities for the Reaction H + DBr (v = 0, j = 0) on the 12A' Potential Energy
摘要: 基于12A'基态势能面在0~2.0 eV碰撞能量范围内对H + DBr (v = 0, j = 0)反应进行了准经典轨线计算。本文预测了总角动量为J = 0，10，20，30，40时的交换和提取反应通道的反应几率。同时角动量为J = 0时的攻击角依赖H + DBr的反应几率也进行了计算。研究表明由于不同角度攻击角下的有效势垒高度不同，导致攻击角对两个反应通道的反应几率影响非常显著。
Abstract: Quasi-classical trajectory calculations were carried out for H + DBr (v = 0, j = 0) over the collision energy range 0 - 2.0 eV on the 12A' potential energy surface. The probabilities for both the exchange and abstraction channels of the reaction at total angular momentum J = 0, 10, 20, 30, 40 are predicted in this work. The attack angle dependent probabilities of H + DBr at J = 0 are calculated. It was found that the influence of attack angle on the distribution of probabilities for both two channels is significant because of the different effective potential barrier heights at different attack angles.
文章引用：王玉良, 李慧, 宿德志, 周鸣宇. 基于12A′基态势能面的H + DBr (v = 0, j = 0)反应几率的理论研究[J]. 应用物理, 2019, 9(5): 226-232. https://doi.org/10.12677/APP.2019.95027

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