通过运用灰色理论建模思想，建立缓蚀体系的灰色缓蚀模型 ，研究了盐酸溶液中苯腈类化合物对碳钢缓蚀的缓蚀性能与分子结构的关系.所研究的苯腈 类化合物包括苯腈类母体化合物(苯丙烯腈、苯甲腈、苯乙腈、异丙基苯乙腈)和对氯苯腈类 化合物(对氯苯丙烯腈、对氯苯甲腈、对氯苯乙腈、对氯异丙基苯乙腈).研究结果表明，盐 酸溶液中苯腈类母体化合物和对氯苯腈类化合物对碳钢缓蚀的缓蚀性能与分子结构参数的关 系，可用GM(0，3)模型描述.缓蚀性能主要与化合物分子氰基上氮原 子的净电荷密度和分子最低空轨道能量有关，氰基氮原子上的净电荷密度(绝对值)σ N越高、分子的最低空轨道能量E LUMO越低，缓蚀性能越高.
The relations between inhibition efficiency of carb on steel in hydrochloric acid and molecular structure of compounds of benzene ni t riles were studied by constructing the grey inhibition model of inhibition syste m.Benzene nitriles studied included parent benzene nitriles(cinnamonitrile,benzo nitrile,benzeneacetonitrile,isopropyl benzeneacetonitrile) and para-chloro ben zene nitriles(para-chloro cinnamonitrile,para-chloro benzonitrile,para-chloro be nzeneacetonitrile,para-chloroisopropyl benzeneacetonitrile).Results showed that the relations between inhibition efficiency of carbon steel in hydrochloric acid and molecular structure of compounds of benzene nitriles could be expressed by GM(0,3).The expressions of GM(0,3) were η(1)1=04640E(1) LUMO-32777σ(1)N+04683(for parent benzene nitriles) and η (1)Ⅱ=01256E(1)LUMO-73096σ(1)N-00759(for pa ra-chloro benzene nitriles).The expressions of GM(0,3) described the relations b etween inhibition efficiency of carbon steel in hydrochloric acid and molecular s tructure of compounds of benzene nitriles.Inhibition efficiency of compounds of benzene nitriles to carbon steel in hydrochloric acid mainly related to σ N and ELUMO，and the more the σN (absolute value) and the less t he ELUMO,the more the inhibition efficiency.
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