[摘要]为了探讨苯并咪唑类化合物对碳钢的缓蚀性能，采用失重法对苯并咪唑（BI），2．甲基苯并咪唑（2．CH，．BI），2一氨基苯并咪唑（2-NH2-BI），2．巯基苯并咪唑（2一sH—BI）4种缓蚀剂在1mol／LHCl溶液中对A3钢的缓蚀性能进行了研究，通过量子化学密度泛函理论（Drr）方法对缓蚀机理进行了分析。结果显示：4种缓蚀剂均具有较好的缓蚀性能，缓蚀效率的从大到小依次为2一sH—BI〉2．NH，一BI〉2一CH3-BI〉BI；4种缓蚀剂在A3钢表面发生了物理、化学混合吸附，其规律服从Langmuir吸附等温式；4种分子的前线轨道均离域于整个分子，反应活性从大到小依次为2一SH．BI〉2一NH：一BI〉2．CH，一BI〉BI，与失重法测得的结果相吻合。
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