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基于多体展式方法所导出的ＡＩＨ_２（Ｘ ~２Ａ_１）分析势能函数，用准经典的Ｍｏｎｔｅ－Ｃａｒｌｏ轨迹法对ＡＩ（~２Ｐ_ｕ）＋Ｈ_２（Ｘ~１∑_ｇ~＋，ｖ＝ｊ＝０）的分子反应动力学过程进行了计算．结果表明，此反应的主产物为交换反应ＡＩ（~２Ｐ_ｕ）＋Ｈ_２（Ｘ~１∑_ｇ~＋ ｖ＝ｊ＝０）→ＡＩＨ（Ｘ ~１∑~＋，ｖ~＇，ｊ~＇）＋Ｈ（~２Ｓ_ｇ）的ＡＩＨ（Ｘ ~１∑~＋，ｖ~’，ｊ~’），没有发现 ＡｌＨ_２（ Ｘ~２ Ａ_１）络合物．而从反应的反应截面σ_ｒ与相对平动能Ｅ_ｔ的关系发现，该反应为有阈能反应，阈能值为 ３１４ ＫＪ·ｍｏｌ~(－１)．同时，由于 ＡＩ的质量比氢的大，发生的是直接碰撞，产物散射角分布是向前散射的．
Based on the potential energy function of AIH_2 (X ~ 2A_1) derived from the multi-body expansive method, the quasi-classical Monte-Carlo trajectory method is used to analyze the potential energy function of AI ~ 2P_u + H_2 (X ~ 1Σ_g ~ +, v = j = 0) The molecular reaction kinetics was calculated. The results show that the main products of this reaction are exchange reaction of AI (~ 2P_u) + H_2 (X ~ 1Σ_g ~ + v = j = 0) → AIH (X ~ 1Σ ~ +, v ~ ’, j ~ (~ 2S ~ g) AIH (X ~ 1Σ ~ +, v ~ ’, j ~’), no AlH_2 (X ~ 2 A_1) complexes were found. From the relationship between the reaction cross section σ_r and the relative translational kinetic energy E_t, it is found that the reaction is threshold reaction and the threshold value is 314 KJ · mol -1. In the meantime, due to the mass of AI being larger than that of hydrogen, a direct collision occurs and the scattering angle distribution of the product is scattered forward.